# generated using pymatgen
data_Fe3NiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25813709
_cell_length_b   5.58248953
_cell_length_c   7.28542445
_cell_angle_alpha   59.47212136
_cell_angle_beta   133.58398082
_cell_angle_gamma   121.73699249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3NiF6
_chemical_formula_sum   'Fe3 Ni1 F6'
_cell_volume   152.37533062
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  F  F4  1  0.02900300  0.45221200  0.75282600  1.0
  F  F5  1  0.97099700  0.54778800  0.24717400  1.0
  F  F6  1  0.77408400  0.78600700  0.65642900  1.0
  F  F7  1  0.22591600  0.21399300  0.34357100  1.0
  F  F8  1  0.57608300  0.92411100  0.90290400  1.0
  F  F9  1  0.42391700  0.07588900  0.09709600  1.0