# generated using pymatgen
data_CrNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20243746
_cell_length_b   5.20243740
_cell_length_c   5.20243718
_cell_angle_alpha   55.91835178
_cell_angle_beta   55.91835040
_cell_angle_gamma   55.91834981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiF6
_chemical_formula_sum   'Cr1 Ni1 F6'
_cell_volume   90.14645864
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  -0.00000000  0.00000000  -0.00000000  1.0
  F  F2  1  0.87605027  0.60787805  0.25831389  1.0
  F  F3  1  0.60787805  0.25831389  0.87605027  1.0
  F  F4  1  0.25831389  0.87605027  0.60787805  1.0
  F  F5  1  0.74168611  0.12394973  0.39212195  1.0
  F  F6  1  0.39212195  0.74168611  0.12394973  1.0
  F  F7  1  0.12394973  0.39212195  0.74168611  1.0