# generated using pymatgen
data_LiPH21S3N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25208400
_cell_length_b   7.41591192
_cell_length_c   13.32009202
_cell_angle_alpha   87.72964400
_cell_angle_beta   89.12776884
_cell_angle_gamma   74.11162751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPH21S3N7
_chemical_formula_sum   'Li2 P2 H42 S6 N14'
_cell_volume   688.45004281
_cell_formula_units_Z   2
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  0.43531100  0.22092800  0.09102300  1
  Li  Li1  1  0.56468900  0.77907200  0.90897700  1
  P  P2  1  0.04358200  0.80939900  0.69753600  1
  P  P3  1  0.95641800  0.19060100  0.30246400  1
  H  H4  1  0.08733500  0.28072800  0.05623200  1
  H  H5  1  0.17846200  0.15003800  0.96107100  1
  H  H6  1  0.04460300  0.70581400  0.46746500  1
  H  H7  1  0.06341500  0.74548100  0.34117600  1
  H  H8  1  0.10955800  0.52178000  0.39101800  1
  H  H9  1  0.15836400  0.37421000  0.95358900  1
  H  H10  1  0.36568100  0.04333700  0.79041100  1
  H  H11  1  0.26791800  0.55326600  0.17683800  1
  H  H12  1  0.32041400  0.37082700  0.25407500  1
  H  H13  1  0.26862000  0.65483200  0.40962700  1
  H  H14  1  0.22934700  0.75759900  0.93420300  1
  H  H15  1  0.19375500  0.93056300  0.56660700  1
  H  H16  1  0.26404300  0.83721800  0.04408600  1
  H  H17  1  0.34680400  0.61347500  0.02236300  1
  H  H18  1  0.38851000  0.40099600  0.63054100  1
  H  H19  1  0.47203000  0.14809000  0.86805100  1
  H  H20  1  0.44790100  0.33821200  0.51436000  1
  H  H21  1  0.35124300  0.80105400  0.64993800  1
  H  H22  1  0.52118600  0.18605000  0.60757700  1
  H  H23  1  0.49295700  0.46605400  0.21459600  1
  H  H24  1  0.59969700  0.02732900  0.77747100  1
  H  H25  1  0.40030300  0.97267100  0.22252900  1
  H  H26  1  0.50704300  0.53394600  0.78540400  1
  H  H27  1  0.47881400  0.81395000  0.39242300  1
  H  H28  1  0.64875700  0.19894600  0.35006200  1
  H  H29  1  0.55209900  0.66178800  0.48564000  1
  H  H30  1  0.52797000  0.85191000  0.13194900  1
  H  H31  1  0.61149000  0.59900400  0.36945900  1
  H  H32  1  0.65319600  0.38652500  0.97763700  1
  H  H33  1  0.73595700  0.16278200  0.95591400  1
  H  H34  1  0.80624500  0.06943700  0.43339300  1
  H  H35  1  0.77065300  0.24240100  0.06579700  1
  H  H36  1  0.73138000  0.34516800  0.59037300  1
  H  H37  1  0.67958600  0.62917300  0.74592500  1
  H  H38  1  0.73208200  0.44673400  0.82316200  1
  H  H39  1  0.63431900  0.95666300  0.20958900  1
  H  H40  1  0.84163600  0.62579000  0.04641100  1
  H  H41  1  0.89044200  0.47822000  0.60898200  1
  H  H42  1  0.93658500  0.25451900  0.65882400  1
  H  H43  1  0.95539700  0.29418600  0.53253500  1
  H  H44  1  0.82153800  0.84996200  0.03892900  1
  H  H45  1  0.91266500  0.71927200  0.94376800  1
  S  S46  1  0.18321600  0.17422200  0.39667800  1
  S  S47  1  0.00561900  0.96880100  0.20976200  1
  S  S48  1  0.13406500  0.55807900  0.77225900  1
  S  S49  1  0.86593500  0.44192100  0.22774100  1
  S  S50  1  0.99438100  0.03119900  0.79023800  1
  S  S51  1  0.81678400  0.82577800  0.60332200  1
  N  N52  1  0.19275900  0.25927400  0.00220800  1
  N  N53  1  0.12015900  0.65623500  0.40269500  1
  N  N54  1  0.22454000  0.81353700  0.61435400  1
  N  N55  1  0.37169300  0.43166400  0.19299800  1
  N  N56  1  0.49158300  0.02944400  0.82824200  1
  N  N57  1  0.32822500  0.74478700  0.99042800  1
  N  N58  1  0.49769700  0.32466400  0.58650100  1
  N  N59  1  0.50230300  0.67533600  0.41349900  1
  N  N60  1  0.67177500  0.25521300  0.00957200  1
  N  N61  1  0.50841700  0.97055600  0.17175800  1
  N  N62  1  0.62830700  0.56833600  0.80700200  1
  N  N63  1  0.77546000  0.18646300  0.38564600  1
  N  N64  1  0.87984100  0.34376500  0.59730500  1
  N  N65  1  0.80724100  0.74072600  0.99779200  1
