data_[Cr1Cl2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0469]
_cell_length_b [5.3314]
_cell_length_c [8.3472]
_cell_angle_alpha [85.9154]
_cell_angle_beta [87.5767]
_cell_angle_gamma [89.3684]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cr(ClF2)2]
_chemical_formula_sum '[Cr1 Cl2 F4]'
_cell_volume [135.1271]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Cl  Cl1  2  0.0077  0.4252  0.3944  1
  F  F2  2  0.0222  0.7451  0.8615  1
  F  F3  2  0.4924  0.8432  0.1182  1
]