# generated using pymatgen
data_LiCuPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25208700
_cell_length_b   5.22744458
_cell_length_c   7.27267877
_cell_angle_alpha   108.90907222
_cell_angle_beta   104.39257674
_cell_angle_gamma   98.00861485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4F
_chemical_formula_sum   'Li2 Cu2 P2 O8 F2'
_cell_volume   177.62226739
_cell_formula_units_Z   2
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  0.92159200  0.18286600  0.19332200  1
  Li  Li1  1  0.07840800  0.81713400  0.80667800  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.50000000  0.50000000  1
  P  P4  1  0.45228900  0.59890600  0.75867600  1
  P  P5  1  0.54771100  0.40109400  0.24132400  1
  O  O6  1  0.70528800  0.66168200  0.08316600  1
  O  O7  1  0.64298400  0.98592800  0.34557000  1
  O  O8  1  0.35701600  0.01407200  0.65443000  1
  O  O9  1  0.64581800  0.39563300  0.39607200  1
  O  O10  1  0.29471200  0.33831800  0.91683400  1
  O  O11  1  0.35418200  0.60436700  0.60392800  1
  O  O12  1  0.23761700  0.52647200  0.12961800  1
  O  O13  1  0.76238300  0.47352800  0.87038200  1
  F  F14  1  0.11141400  0.81561300  0.25087200  1
  F  F15  1  0.88858600  0.18438700  0.74912800  1
