# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76270700
_cell_length_b   4.89441900
_cell_length_c   7.43297852
_cell_angle_alpha   81.59403925
_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   351.35283970
_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  0.30768200  0.70027800  0.21690700  1
  Li  Li1  1  0.75500900  0.35088500  0.24712900  1
  Li  Li2  1  0.25500900  0.64911500  0.75287100  1
  Li  Li3  1  0.80768200  0.29972200  0.78309300  1
  Cu  Cu4  1  0.99780400  0.87106100  0.06002300  1
  Cu  Cu5  1  0.16065200  0.08723500  0.45951700  1
  Cu  Cu6  1  0.66065200  0.91276500  0.54048300  1
  Cu  Cu7  1  0.49780400  0.12893900  0.93997700  1
  P  P8  1  0.19669600  0.22905000  0.04484600  1
  P  P9  1  0.90054300  0.76780300  0.44568700  1
  P  P10  1  0.40054300  0.23219700  0.55431300  1
  P  P11  1  0.69669600  0.77095000  0.95515400  1
  O  O12  1  0.33796100  0.09058600  0.09427500  1
  O  O13  1  0.20736400  0.54408500  0.01802100  1
  O  O14  1  0.61908300  0.88365600  0.11205000  1
  O  O15  1  0.10064500  0.10695000  0.21102700  1
  O  O16  1  0.91407300  0.63842500  0.26683200  1
  O  O17  1  0.29158100  0.40568900  0.42989700  1
  O  O18  1  0.83062500  0.05690200  0.40759300  1
  O  O19  1  0.53920000  0.21759000  0.45509500  1
  O  O20  1  0.03920000  0.78241000  0.54490500  1
  O  O21  1  0.33062500  0.94309800  0.59240700  1
  O  O22  1  0.79158100  0.59431100  0.57010300  1
  O  O23  1  0.41407300  0.36157500  0.73316800  1
  O  O24  1  0.60064500  0.89305000  0.78897300  1
  O  O25  1  0.11908300  0.11634400  0.88795000  1
  O  O26  1  0.70736400  0.45591500  0.98197900  1
  O  O27  1  0.83796100  0.90941400  0.90572500  1
