# generated using pymatgen
data_LiNiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44814959
_cell_length_b   5.44814901
_cell_length_c   5.44814936
_cell_angle_alpha   55.21225851
_cell_angle_beta   55.21226070
_cell_angle_gamma   55.21225945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiF3
_chemical_formula_sum   'Li2 Ni2 F6'
_cell_volume   101.62203984
_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  0.70222854  0.70222854  0.70222854  1
  Li  Li1  1  0.29777146  0.29777146  0.29777146  1
  Ni  Ni2  1  -0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1
  F  F4  1  0.72860910  0.10602516  0.39712372  1
  F  F5  1  0.10602516  0.39712372  0.72860910  1
  F  F6  1  0.39712372  0.72860910  0.10602516  1
  F  F7  1  0.60287628  0.27139090  0.89397484  1
  F  F8  1  0.89397484  0.60287628  0.27139090  1
  F  F9  1  0.27139090  0.89397484  0.60287628  1
