# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49445216
_cell_length_b   7.49445216
_cell_length_c   9.77944800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li6 Cu6 P6 O24'
_cell_volume   475.69079807
_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  0.06965800  0.58772300  0.48213700  1
  Li  Li1  1  0.51806500  0.93034200  0.48213700  1
  Li  Li2  1  0.41227700  0.48193500  0.48213700  1
  Li  Li3  1  0.48193500  0.41227700  0.98213700  1
  Li  Li4  1  0.58772300  0.06965800  0.98213700  1
  Li  Li5  1  0.93034200  0.51806500  0.98213700  1
  Cu  Cu6  1  0.22713200  0.95672100  0.27112400  1
  Cu  Cu7  1  0.04327900  0.27041100  0.27112400  1
  Cu  Cu8  1  0.27041100  0.04327900  0.77112400  1
  Cu  Cu9  1  0.72958900  0.77286800  0.27112400  1
  Cu  Cu10  1  0.77286800  0.72958900  0.77112400  1
  Cu  Cu11  1  0.95672100  0.22713200  0.77112400  1
  P  P12  1  0.33333300  0.66666700  0.18155800  1
  P  P13  1  0.00000000  0.00000000  0.00688600  1
  P  P14  1  0.00000000  0.00000000  0.50688600  1
  P  P15  1  0.33333300  0.66666700  0.77008200  1
  P  P16  1  0.66666700  0.33333300  0.68155800  1
  P  P17  1  0.66666700  0.33333300  0.27008200  1
  O  O18  1  0.09831200  0.87334000  0.45619400  1
  O  O19  1  0.24117800  0.79729300  0.12318600  1
  O  O20  1  0.39887600  0.88538800  0.82862900  1
  O  O21  1  0.11461200  0.51348800  0.82862900  1
  O  O22  1  0.20270700  0.44388500  0.12318600  1
  O  O23  1  0.33333300  0.66666700  0.33959400  1
  O  O24  1  0.00000000  0.00000000  0.17274500  1
  O  O25  1  0.00000000  0.00000000  0.67274500  1
  O  O26  1  0.33333300  0.66666700  0.61247500  1
  O  O27  1  0.12666000  0.22497100  0.45619400  1
  O  O28  1  0.22497100  0.12666000  0.95619400  1
  O  O29  1  0.55611500  0.75882200  0.12318600  1
  O  O30  1  0.48651200  0.60112400  0.82862900  1
  O  O31  1  0.77502900  0.90168800  0.45619400  1
  O  O32  1  0.44388500  0.20270700  0.62318600  1
  O  O33  1  0.51348800  0.11461200  0.32862900  1
  O  O34  1  0.60112400  0.48651200  0.32862900  1
  O  O35  1  0.75882200  0.55611500  0.62318600  1
  O  O36  1  0.66666700  0.33333300  0.83959400  1
  O  O37  1  0.66666700  0.33333300  0.11247500  1
  O  O38  1  0.90168800  0.77502900  0.95619400  1
  O  O39  1  0.79729300  0.24117800  0.62318600  1
  O  O40  1  0.88538800  0.39887600  0.32862900  1
  O  O41  1  0.87334000  0.09831200  0.95619400  1
