# generated using pymatgen
data_LiCaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66702439
_cell_length_b   7.66702439
_cell_length_c   10.05235300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaPO4
_chemical_formula_sum   'Li6 Ca6 P6 O24'
_cell_volume   511.74314893
_cell_formula_units_Z   6
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  0.03994500  0.23763000  0.25631000  1
  Li  Li1  1  0.76237000  0.80231500  0.25631000  1
  Li  Li2  1  0.19768500  0.96005500  0.25631000  1
  Li  Li3  1  0.23763000  0.03994500  0.75631000  1
  Li  Li4  1  0.80231500  0.76237000  0.75631000  1
  Li  Li5  1  0.96005500  0.19768500  0.75631000  1
  Ca  Ca6  1  0.01948100  0.54166700  0.48535400  1
  Ca  Ca7  1  0.98051900  0.52218600  0.98535400  1
  Ca  Ca8  1  0.47781400  0.45833300  0.98535400  1
  Ca  Ca9  1  0.54166700  0.01948100  0.98535400  1
  Ca  Ca10  1  0.52218600  0.98051900  0.48535400  1
  Ca  Ca11  1  0.45833300  0.47781400  0.48535400  1
  P  P12  1  0.00000000  0.00000000  0.99964800  1
  P  P13  1  0.33333300  0.66666700  0.75720400  1
  P  P14  1  0.66666700  0.33333300  0.25720400  1
  P  P15  1  0.66666700  0.33333300  0.68588400  1
  P  P16  1  0.33333300  0.66666700  0.18588400  1
  P  P17  1  0.00000000  0.00000000  0.49964800  1
  O  O18  1  0.76744400  0.55075200  0.62812400  1
  O  O19  1  0.52308400  0.66610600  0.80762700  1
  O  O20  1  0.33389400  0.85697900  0.80762700  1
  O  O21  1  0.14302100  0.47691600  0.80762700  1
  O  O22  1  0.66610600  0.52308400  0.30762700  1
  O  O23  1  0.85697900  0.33389400  0.30762700  1
  O  O24  1  0.47691600  0.14302100  0.30762700  1
  O  O25  1  0.78330800  0.23255600  0.62812400  1
  O  O26  1  0.66666700  0.33333300  0.84021600  1
  O  O27  1  0.44924800  0.21669200  0.62812400  1
  O  O28  1  0.23255600  0.78330800  0.12812400  1
  O  O29  1  0.55075200  0.76744400  0.12812400  1
  O  O30  1  0.00000000  0.00000000  0.15481800  1
  O  O31  1  0.00000000  0.00000000  0.65481800  1
  O  O32  1  0.33333300  0.66666700  0.34021600  1
  O  O33  1  0.22106100  0.12506200  0.94565600  1
  O  O34  1  0.66666700  0.33333300  0.10121900  1
  O  O35  1  0.33333300  0.66666700  0.60121900  1
  O  O36  1  0.77893900  0.90400100  0.44565600  1
  O  O37  1  0.87493800  0.09599900  0.94565600  1
  O  O38  1  0.90400100  0.77893900  0.94565600  1
  O  O39  1  0.12506200  0.22106100  0.44565600  1
  O  O40  1  0.09599900  0.87493800  0.44565600  1
  O  O41  1  0.21669200  0.44924800  0.12812400  1
