# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21380900
_cell_length_b   6.10418400
_cell_length_c   10.64581900
_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   338.81436222
_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  0.29950800  0.51831100  0.82705400  1
  Li  Li1  1  0.70049200  0.01831100  0.17294600  1
  Li  Li2  1  0.20049200  0.51831100  0.32705400  1
  Li  Li3  1  0.79950800  0.01831100  0.67294600  1
  Cu  Cu4  1  0.18220000  0.74578400  0.58508100  1
  Cu  Cu5  1  0.81780000  0.24578400  0.41491900  1
  Cu  Cu6  1  0.31780000  0.74578400  0.08508100  1
  Cu  Cu7  1  0.68220000  0.24578400  0.91491900  1
  P  P8  1  0.80466100  0.74751100  0.92796400  1
  P  P9  1  0.30466100  0.24751100  0.57203600  1
  P  P10  1  0.69533900  0.74751100  0.42796400  1
  P  P11  1  0.19533900  0.24751100  0.07203600  1
  O  O12  1  0.77448500  0.95357000  0.34980400  1
  O  O13  1  0.60014500  0.22507600  0.57030300  1
  O  O14  1  0.68152800  0.54646800  0.86013900  1
  O  O15  1  0.22551500  0.45357000  0.65019600  1
  O  O16  1  0.79695600  0.76317900  0.56439000  1
  O  O17  1  0.81847200  0.54646800  0.36013900  1
  O  O18  1  0.27448500  0.45357000  0.15019600  1
  O  O19  1  0.29695600  0.26317900  0.93561000  1
  O  O20  1  0.89985500  0.22507600  0.07030300  1
  O  O21  1  0.10014500  0.72507600  0.92969700  1
  O  O22  1  0.20304400  0.26317900  0.43561000  1
  O  O23  1  0.31847200  0.04646800  0.13986100  1
  O  O24  1  0.18152800  0.04646800  0.63986100  1
  O  O25  1  0.72551500  0.95357000  0.84980400  1
  O  O26  1  0.39985500  0.72507600  0.42969700  1
  O  O27  1  0.70304400  0.76317900  0.06439000  1
