# generated using pymatgen
data_Li2CuP3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32518000
_cell_length_b   7.64629812
_cell_length_c   8.23532196
_cell_angle_alpha   71.38916825
_cell_angle_beta   73.79031742
_cell_angle_gamma   71.49767689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuP3(HO5)2
_chemical_formula_sum   'Li4 Cu2 P6 H4 O20'
_cell_volume   406.34783201
_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  0.32008000  0.40213100  0.98909900  1
  Li  Li1  1  0.41729900  0.66467300  0.62659800  1
  Li  Li2  1  0.58270100  0.33532700  0.37340200  1
  Li  Li3  1  0.67992000  0.59786900  0.01090100  1
  Cu  Cu4  1  0.71259400  0.93752700  0.63857600  1
  Cu  Cu5  1  0.28740600  0.06247300  0.36142400  1
  P  P6  1  0.29555300  0.88848900  0.91454500  1
  P  P7  1  0.75163400  0.29041900  0.71829000  1
  P  P8  1  0.18811500  0.27692200  0.67062100  1
  P  P9  1  0.81188500  0.72307800  0.32937900  1
  P  P10  1  0.24836600  0.70958100  0.28171000  1
  P  P11  1  0.70444700  0.11151100  0.08545500  1
  H  H12  1  0.99342800  0.75891100  0.83676600  1
  H  H13  1  0.99975000  0.62221600  0.73474800  1
  H  H14  1  0.00025000  0.37778400  0.26525200  1
  H  H15  1  0.00657200  0.24108900  0.16323400  1
  O  O16  1  0.90317300  0.70883500  0.80344900  1
  O  O17  1  0.51319100  0.85929800  0.88152700  1
  O  O18  1  0.79424200  0.11215900  0.88223500  1
  O  O19  1  0.22458500  0.75385500  0.86037700  1
  O  O20  1  0.59617000  0.45248400  0.78032300  1
  O  O21  1  0.95961400  0.34634500  0.65139800  1
  O  O22  1  0.18105300  0.10633000  0.84554900  1
  O  O23  1  0.68152100  0.79719800  0.48250500  1
  O  O24  1  0.23239400  0.43638000  0.70971700  1
  O  O25  1  0.71758700  0.21581800  0.58292000  1
  O  O26  1  0.28241300  0.78418200  0.41708000  1
  O  O27  1  0.76760600  0.56362000  0.29028300  1
  O  O28  1  0.31847900  0.20280200  0.51749500  1
  O  O29  1  0.81894700  0.89367000  0.15445100  1
  O  O30  1  0.04038600  0.65365500  0.34860200  1
  O  O31  1  0.40383000  0.54751600  0.21967700  1
  O  O32  1  0.77541500  0.24614500  0.13962300  1
  O  O33  1  0.20575800  0.88784100  0.11776500  1
  O  O34  1  0.48680900  0.14070200  0.11847300  1
  O  O35  1  0.09682700  0.29116500  0.19655100  1
