# generated using pymatgen
data_NiF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07954280
_cell_length_b   4.58494077
_cell_length_c   4.67632614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiF2
_chemical_formula_sum   'Ni2 F4'
_cell_volume   66.02748671
_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
  Ni  Ni0  1  -0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.50000000  0.50000000  0.50000000  1.0
  F  F2  1  0.00000000  0.28789257  0.31916763  1.0
  F  F3  1  0.50000000  0.21210743  0.81916763  1.0
  F  F4  1  -0.00000000  0.71210743  0.68083237  1.0
  F  F5  1  0.50000000  0.78789257  0.18083237  1.0