# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93742800
_cell_length_b   6.97115100
_cell_length_c   9.89862400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   340.70624447
_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  0.69408600  0.28688600  0.65581200  1
  Li  Li1  1  0.19408600  0.78688600  0.84418800  1
  Li  Li2  1  0.80591400  0.28688600  0.15581200  1
  Li  Li3  1  0.30591400  0.78688600  0.34418800  1
  Cu  Cu4  1  0.70335700  0.78497100  0.64825200  1
  Cu  Cu5  1  0.20335700  0.28497100  0.85174800  1
  Cu  Cu6  1  0.79664300  0.78497100  0.14825200  1
  Cu  Cu7  1  0.29664300  0.28497100  0.35174800  1
  P  P8  1  0.18930100  0.53696500  0.59292900  1
  P  P9  1  0.68930100  0.03696500  0.90707100  1
  P  P10  1  0.31069900  0.53696500  0.09292900  1
  P  P11  1  0.81069900  0.03696500  0.40707100  1
  O  O12  1  0.74364800  0.03462700  0.56041000  1
  O  O13  1  0.87786700  0.53498000  0.61736100  1
  O  O14  1  0.31068600  0.35470600  0.65966500  1
  O  O15  1  0.30502800  0.72489500  0.65404000  1
  O  O16  1  0.80502800  0.22489500  0.84596000  1
  O  O17  1  0.81068600  0.85470600  0.84033500  1
  O  O18  1  0.37786700  0.03498000  0.88263900  1
  O  O19  1  0.24364800  0.53462700  0.93959000  1
  O  O20  1  0.75635200  0.03462700  0.06041000  1
  O  O21  1  0.62213300  0.53498000  0.11736100  1
  O  O22  1  0.18931400  0.35470600  0.15966500  1
  O  O23  1  0.19497200  0.72489500  0.15404000  1
  O  O24  1  0.69497200  0.22489500  0.34596000  1
  O  O25  1  0.68931400  0.85470600  0.34033500  1
  O  O26  1  0.12213300  0.03498000  0.38263900  1
  O  O27  1  0.25635200  0.53462700  0.43959000  1
