data_[Cr4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1234]
_cell_length_b [4.6005]
_cell_length_c [5.6261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrOF]
_chemical_formula_sum '[Cr4 O4 F4]'
_cell_volume [132.5642]
_cell_formula_units_Z [4]
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  4  0.2255  0.0160  0.8510  1.0
  O  O1  4  0.0806  0.2239  0.1146  1.0
  F  F2  4  0.4208  0.7411  0.6125  1.0
]