# generated using pymatgen
data_LiCu2BP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43617600
_cell_length_b   8.02953500
_cell_length_c   17.65339300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2BP2(HO5)2
_chemical_formula_sum   'Li4 Cu8 B4 P8 H8 O40'
_cell_volume   770.56999467
_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  0.25960400  0.37113300  0.45396900  1
  Li  Li1  1  0.24039600  0.62886700  0.95396900  1
  Li  Li2  1  0.75960400  0.12886700  0.54603100  1
  Li  Li3  1  0.74039600  0.87113300  0.04603100  1
  Cu  Cu4  1  0.04391700  0.67165300  0.51759400  1
  Cu  Cu5  1  0.45608300  0.32834700  0.01759400  1
  Cu  Cu6  1  0.54391700  0.82834700  0.48240600  1
  Cu  Cu7  1  0.95608300  0.17165300  0.98240600  1
  Cu  Cu8  1  0.03173900  0.32282200  0.65755400  1
  Cu  Cu9  1  0.46826100  0.67717800  0.15755400  1
  Cu  Cu10  1  0.53173900  0.17717800  0.34244600  1
  Cu  Cu11  1  0.96826100  0.82282200  0.84244600  1
  B  B12  1  0.28099700  0.08352400  0.76421700  1
  B  B13  1  0.21900300  0.91647600  0.26421700  1
  B  B14  1  0.78099700  0.41647600  0.23578300  1
  B  B15  1  0.71900300  0.58352400  0.73578300  1
  P  P16  1  0.06672300  0.99473900  0.40666800  1
  P  P17  1  0.43327700  0.00526100  0.90666800  1
  P  P18  1  0.56672300  0.50526100  0.59333200  1
  P  P19  1  0.93327700  0.49473900  0.09333200  1
  P  P20  1  0.25356700  0.96297200  0.61851100  1
  P  P21  1  0.24643300  0.03702800  0.11851100  1
  P  P22  1  0.75356700  0.53702800  0.38148900  1
  P  P23  1  0.74643300  0.46297200  0.88148900  1
  H  H24  1  0.04639200  0.63077900  0.68048900  1
  H  H25  1  0.45360800  0.36922100  0.18048900  1
  H  H26  1  0.54639200  0.86922100  0.31951100  1
  H  H27  1  0.95360800  0.13077900  0.81951100  1
  H  H28  1  0.37913700  0.33655400  0.76060500  1
  H  H29  1  0.12086300  0.66344600  0.26060500  1
  H  H30  1  0.87913700  0.16344600  0.23939500  1
  H  H31  1  0.62086300  0.83655400  0.73939500  1
  O  O32  1  0.12693600  0.79227900  0.60887900  1
  O  O33  1  0.37306400  0.20772100  0.10887900  1
  O  O34  1  0.62693600  0.70772100  0.39112100  1
  O  O35  1  0.87306400  0.29227900  0.89112100  1
  O  O36  1  0.06842300  0.10710400  0.60622900  1
  O  O37  1  0.43157700  0.89289600  0.10622900  1
  O  O38  1  0.56842300  0.39289600  0.39377100  1
  O  O39  1  0.93157700  0.60710400  0.89377100  1
  O  O40  1  0.96994500  0.53753500  0.70886400  1
  O  O41  1  0.53005500  0.46246500  0.20886400  1
  O  O42  1  0.46994500  0.96246500  0.29113600  1
  O  O43  1  0.03005500  0.03753500  0.79113600  1
  O  O44  1  0.98129600  0.51938700  0.43391500  1
  O  O45  1  0.51870400  0.48061300  0.93391500  1
  O  O46  1  0.48129600  0.98061300  0.56608500  1
  O  O47  1  0.01870400  0.01938700  0.06608500  1
  O  O48  1  0.31396800  0.46550900  0.55908700  1
  O  O49  1  0.18603200  0.53449100  0.05908700  1
  O  O50  1  0.81396800  0.03449100  0.44091300  1
  O  O51  1  0.68603200  0.96550900  0.94091300  1
  O  O52  1  0.19342000  0.84916800  0.45042600  1
  O  O53  1  0.30658000  0.15083200  0.95042600  1
  O  O54  1  0.69342000  0.65083200  0.54957400  1
  O  O55  1  0.80658000  0.34916800  0.04957400  1
  O  O56  1  0.26995700  0.25545500  0.73606000  1
  O  O57  1  0.23004300  0.74454500  0.23606000  1
  O  O58  1  0.76995700  0.24454500  0.26394000  1
  O  O59  1  0.73004300  0.75545500  0.76394000  1
  O  O60  1  0.02819600  0.93434900  0.32238500  1
  O  O61  1  0.47180400  0.06565100  0.82238500  1
  O  O62  1  0.52819600  0.56565100  0.67761500  1
  O  O63  1  0.97180400  0.43434900  0.17761500  1
  O  O64  1  0.35343800  0.96744200  0.70275300  1
  O  O65  1  0.14656200  0.03255800  0.20275300  1
  O  O66  1  0.85343800  0.53255800  0.29724700  1
  O  O67  1  0.64656200  0.46744200  0.79724700  1
  O  O68  1  0.23703800  0.14977000  0.40693300  1
  O  O69  1  0.26296200  0.85023000  0.90693300  1
  O  O70  1  0.73703800  0.35023000  0.59306700  1
  O  O71  1  0.76296200  0.64977000  0.09306700  1
