data_[Cr2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4931]
_cell_length_b [4.9661]
_cell_length_c [5.3528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrF4]
_chemical_formula_sum '[Cr2 F8]'
_cell_volume [130.4558]
_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
[
  Cr  Cr0  2  0.5000  0.0000  0.0000  1.0
  F  F1  4  0.1649  0.6274  0.3680  1.0
  F  F2  4  0.3958  0.1976  0.6514  1.0
]