# generated using pymatgen
data_LiCu2BP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82770100
_cell_length_b   8.15443100
_cell_length_c   9.79644568
_cell_angle_alpha   92.11332830
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.21852967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2BP2(HO5)2
_chemical_formula_sum   'Li2 Cu4 B2 P4 H4 O20'
_cell_volume   368.09940091
_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  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu2  1  0.85393700  0.29307500  0.73036100  1
  Cu  Cu3  1  0.56086200  0.70692500  0.76963900  1
  Cu  Cu4  1  0.14606300  0.70692500  0.26963900  1
  Cu  Cu5  1  0.43913800  0.29307500  0.23036100  1
  B  B6  1  0.28219200  0.00000000  0.75000000  1
  B  B7  1  0.71780800  0.00000000  0.25000000  1
  P  P8  1  0.32368100  0.28522100  0.91147900  1
  P  P9  1  0.03846100  0.71477900  0.58852100  1
  P  P10  1  0.67631900  0.71477900  0.08852100  1
  P  P11  1  0.96153900  0.28522100  0.41147900  1
  H  H12  1  0.41785900  0.14842400  0.58886700  1
  H  H13  1  0.26943600  0.85157600  0.91113300  1
  H  H14  1  0.58214100  0.85157600  0.41113300  1
  H  H15  1  0.73056400  0.14842400  0.08886700  1
  O  O16  1  0.15536200  0.10462800  0.84239600  1
  O  O17  1  0.05073500  0.89537200  0.65760400  1
  O  O18  1  0.84463800  0.89537200  0.15760400  1
  O  O19  1  0.94926500  0.10462800  0.34239600  1
  O  O20  1  0.65481200  0.31621700  0.90353300  1
  O  O21  1  0.33859500  0.68378300  0.59646700  1
  O  O22  1  0.34518800  0.68378300  0.09646700  1
  O  O23  1  0.66140500  0.31621700  0.40353300  1
  O  O24  1  0.21896600  0.41983400  0.83359500  1
  O  O25  1  0.79913300  0.58016600  0.66640500  1
  O  O26  1  0.78103400  0.58016600  0.16640500  1
  O  O27  1  0.20086700  0.41983400  0.33359500  1
  O  O28  1  0.22495100  0.29275800  0.06019600  1
  O  O29  1  0.93219300  0.70724200  0.43980400  1
  O  O30  1  0.77504900  0.70724200  0.93980400  1
  O  O31  1  0.06780700  0.29275800  0.56019600  1
  O  O32  1  0.51240200  0.10611200  0.66256000  1
  O  O33  1  0.40629000  0.89388800  0.83744000  1
  O  O34  1  0.48759800  0.89388800  0.33744000  1
  O  O35  1  0.59371000  0.10611200  0.16256000  1
