data_[Ni2O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7043]
_cell_length_b [4.9091]
_cell_length_c [5.3367]
_cell_angle_alpha [114.9660]
_cell_angle_beta [99.1656]
_cell_angle_gamma [95.0211]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NiO2F]
_chemical_formula_sum '[Ni2 O4 F2]'
_cell_volume [108.6416]
_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  0.1711  0.8969  0.9577  1
  Ni  Ni1  1  0.6570  0.5746  0.2574  1
  O  O2  1  0.2984  0.2777  0.6879  1
  O  O3  1  0.3806  0.2746  0.2318  1
  O  O4  1  0.4149  0.0638  0.7246  1
  O  O5  1  0.4225  0.5746  0.9202  1
  F  F6  1  0.8727  0.6461  0.6185  1
  F  F7  1  0.9530  0.8202  0.2130  1
]