# generated using pymatgen
data_Li6Zn3(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25880084
_cell_length_b   11.63772633
_cell_length_c   23.21425756
_cell_angle_alpha   89.92894619
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Zn3(PS4)4
_chemical_formula_sum   'Li24 Zn12 P16 S64'
_cell_volume   2501.36660340
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.74677657  0.49661918  0.87759525  1
  Li  Li1  1  0.74677657  0.00338082  0.87240475  1
  Li  Li2  1  0.24880343  0.75818898  0.75210549  1
  Li  Li3  1  0.24880343  0.74181102  0.99789451  1
  Li  Li4  1  0.50563051  0.49790831  0.25125648  1
  Li  Li5  1  0.50050140  0.00009841  0.25030613  1
  Li  Li6  1  0.50050140  0.49990159  0.49969387  1
  Li  Li7  1  0.50563051  0.00209169  0.49874352  1
  Li  Li8  1  0.00281757  0.75000000  0.37500000  1
  Li  Li9  1  0.00054383  0.25000000  0.37500000  1
  Li  Li10  1  0.49621914  0.49832761  0.74785835  1
  Li  Li11  1  0.50007903  0.00327468  0.75016975  1
  Li  Li12  1  0.99685333  0.75075189  0.62245133  1
  Li  Li13  1  0.00330815  0.25037507  0.62447030  1
  Li  Li14  1  0.50007903  0.49672532  0.99983025  1
  Li  Li15  1  0.49621914  0.00167239  0.00214165  1
  Li  Li16  1  0.99060017  0.75000000  0.87500000  1
  Li  Li17  1  0.01485057  0.25000000  0.87500000  1
  Li  Li18  1  0.99685333  0.74924811  0.12754867  1
  Li  Li19  1  0.00330815  0.24962493  0.12552970  1
  Li  Li20  1  0.48169629  0.25000000  0.87500000  1
  Li  Li21  1  0.50367543  0.75000000  0.87500000  1
  Li  Li22  1  0.99897828  0.00032303  0.74712180  1
  Li  Li23  1  0.99897828  0.49967697  0.00287820  1
  Zn  Zn24  1  0.50074073  0.25103888  0.12368003  1
  Zn  Zn25  1  0.50702723  0.74822729  0.12724822  1
  Zn  Zn26  1  0.50006894  0.25000000  0.37500000  1
  Zn  Zn27  1  0.49813746  0.75000000  0.37500000  1
  Zn  Zn28  1  0.00041705  0.49954279  0.25026784  1
  Zn  Zn29  1  0.99916138  0.00066061  0.25046010  1
  Zn  Zn30  1  0.50074073  0.24896112  0.62631997  1
  Zn  Zn31  1  0.50702723  0.75177271  0.62275178  1
  Zn  Zn32  1  0.99916138  0.49933939  0.49953990  1
  Zn  Zn33  1  0.00041705  0.00045721  0.49973216  1
  Zn  Zn34  1  0.99955705  0.49977967  0.74996348  1
  Zn  Zn35  1  0.99955705  0.00022033  0.00003652  1
  P  P36  1  0.75014425  0.24923900  0.24994315  1
  P  P37  1  0.75100897  0.75009630  0.25086700  1
  P  P38  1  0.75014425  0.25076100  0.50005685  1
  P  P39  1  0.75100897  0.74990370  0.49913300  1
  P  P40  1  0.25008075  0.49973466  0.37515336  1
  P  P41  1  0.25008075  0.00026534  0.37484664  1
  P  P42  1  0.75022852  0.24735836  0.74802158  1
  P  P43  1  0.74879442  0.74367772  0.75171836  1
  P  P44  1  0.24781601  0.50078754  0.62494566  1
  P  P45  1  0.25445405  0.99449430  0.62359023  1
  P  P46  1  0.75022852  0.25264164  0.00197842  1
  P  P47  1  0.74879442  0.75632228  0.99828164  1
  P  P48  1  0.24885086  0.50163594  0.87449575  1
  P  P49  1  0.24885086  0.99836406  0.87550425  1
  P  P50  1  0.25445405  0.50550570  0.12640977  1
  P  P51  1  0.24781601  0.99921246  0.12505434  1
  S  S52  1  0.86996161  0.35376077  0.05309092  1
  S  S53  1  0.87008883  0.85934558  0.05237695  1
  S  S54  1  0.86460699  0.36057290  0.30198648  1
  S  S55  1  0.86673008  0.86061602  0.30270401  1
  S  S56  1  0.37370699  0.61115353  0.17968750  1
  S  S57  1  0.36656776  0.10877980  0.17581547  1
  S  S58  1  0.86484871  0.36180780  0.55208101  1
  S  S59  1  0.86251070  0.86241114  0.55129999  1
  S  S60  1  0.36397979  0.61120286  0.42727041  1
  S  S61  1  0.36469860  0.11122046  0.42691843  1
  S  S62  1  0.86934053  0.35934223  0.80217846  1
  S  S63  1  0.86772941  0.85532759  0.80121285  1
  S  S64  1  0.36875037  0.61376519  0.67577963  1
  S  S65  1  0.36462980  0.10735179  0.67637681  1
  S  S66  1  0.36995033  0.60902370  0.92684246  1
  S  S67  1  0.36805883  0.09946351  0.92759827  1
  S  S68  1  0.63533476  0.64677175  0.30638887  1
  S  S69  1  0.63562811  0.14548817  0.30589597  1
  S  S70  1  0.63938186  0.64413255  0.55505671  1
  S  S71  1  0.63477795  0.14735866  0.55555861  1
  S  S72  1  0.13513298  0.89634900  0.43037854  1
  S  S73  1  0.13589682  0.39542418  0.43087464  1
  S  S74  1  0.62669565  0.63910545  0.80344326  1
  S  S75  1  0.62922372  0.14940038  0.80384067  1
  S  S76  1  0.13299005  0.89201829  0.67678931  1
  S  S77  1  0.13721062  0.39676414  0.68120756  1
  S  S78  1  0.63017309  0.65093486  0.05276089  1
  S  S79  1  0.63080904  0.14489314  0.05464512  1
  S  S80  1  0.12649262  0.88895655  0.93074710  1
  S  S81  1  0.12053611  0.40532409  0.92566252  1
  S  S82  1  0.13427746  0.89568026  0.18095988  1
  S  S83  1  0.13765257  0.39975535  0.18076736  1
  S  S84  1  0.86484871  0.13819220  0.19791899  1
  S  S85  1  0.86251070  0.63758886  0.19870001  1
  S  S86  1  0.86460699  0.13942710  0.44801352  1
  S  S87  1  0.86673008  0.63938398  0.44729599  1
  S  S88  1  0.36469860  0.38877954  0.32308157  1
  S  S89  1  0.36397979  0.88879714  0.32272959  1
  S  S90  1  0.86996161  0.14623923  0.69690908  1
  S  S91  1  0.87008883  0.64065442  0.69762305  1
  S  S92  1  0.36656776  0.39122020  0.57418453  1
  S  S93  1  0.37370699  0.88884647  0.57031250  1
  S  S94  1  0.86934053  0.14065777  0.94782154  1
  S  S95  1  0.86772941  0.64467241  0.94878715  1
  S  S96  1  0.36805883  0.40053649  0.82240173  1
  S  S97  1  0.36995033  0.89097630  0.82315754  1
  S  S98  1  0.36462980  0.39264821  0.07362319  1
  S  S99  1  0.36875037  0.88623481  0.07422037  1
  S  S100  1  0.63477795  0.35264134  0.19444139  1
  S  S101  1  0.63938186  0.85586745  0.19494329  1
  S  S102  1  0.63562811  0.35451183  0.44410403  1
  S  S103  1  0.63533476  0.85322825  0.44361113  1
  S  S104  1  0.13513298  0.60365100  0.31962146  1
  S  S105  1  0.13589682  0.10457682  0.31912536  1
  S  S106  1  0.63080904  0.35510686  0.69535488  1
  S  S107  1  0.63017309  0.84906514  0.69723911  1
  S  S108  1  0.13427746  0.60431974  0.56904012  1
  S  S109  1  0.13765257  0.10024565  0.56923264  1
  S  S110  1  0.62922372  0.35059962  0.94615933  1
  S  S111  1  0.62669565  0.86089455  0.94655674  1
  S  S112  1  0.12649262  0.61104345  0.81925290  1
  S  S113  1  0.12053611  0.09467691  0.82433748  1
  S  S114  1  0.13299005  0.60798171  0.07321069  1
  S  S115  1  0.13721062  0.10323686  0.06879244  1
