# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71432900
_cell_length_b   5.01813400
_cell_length_c   8.53886445
_cell_angle_alpha   53.97257186
_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   336.63688580
_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  0.33021000  0.21804500  0.48440200  1
  Li  Li1  1  0.66979000  0.78195500  0.51559800  1
  Li  Li2  1  0.16979000  0.21804500  0.98440200  1
  Li  Li3  1  0.83021000  0.78195500  0.01559800  1
  Cu  Cu4  1  0.13025100  0.74321000  0.48893600  1
  Cu  Cu5  1  0.36974900  0.74321000  0.98893600  1
  Cu  Cu6  1  0.86974900  0.25679000  0.51106400  1
  Cu  Cu7  1  0.63025100  0.25679000  0.01106400  1
  P  P8  1  0.90547200  0.05459200  0.24675500  1
  P  P9  1  0.09452800  0.94540800  0.75324500  1
  P  P10  1  0.40547200  0.94540800  0.25324500  1
  P  P11  1  0.59452800  0.05459200  0.74675500  1
  O  O12  1  0.32643100  0.89600900  0.42589900  1
  O  O13  1  0.62221800  0.35581500  0.75237000  1
  O  O14  1  0.37778200  0.64418500  0.24763000  1
  O  O15  1  0.43818900  0.02005100  0.72083300  1
  O  O16  1  0.17356900  0.89600900  0.92589900  1
  O  O17  1  0.93818900  0.97994900  0.77916700  1
  O  O18  1  0.56181100  0.97994900  0.27916700  1
  O  O19  1  0.63653900  0.73584100  0.94721200  1
  O  O20  1  0.86346100  0.73584100  0.44721200  1
  O  O21  1  0.36346100  0.26415900  0.05278800  1
  O  O22  1  0.12221800  0.64418500  0.74763000  1
  O  O23  1  0.82643100  0.10399100  0.07410100  1
  O  O24  1  0.06181100  0.02005100  0.22083300  1
  O  O25  1  0.13653900  0.26415900  0.55278800  1
  O  O26  1  0.87778200  0.35581500  0.25237000  1
  O  O27  1  0.67356900  0.10399100  0.57410100  1
