data_[Cd2Br2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2587]
_cell_length_b [3.8061]
_cell_length_c [6.4057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CdBrF]
_chemical_formula_sum '[Cd2 Br2 F2]'
_cell_volume [150.5393]
_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
[
  Cd  Cd0  1  0.0000  0.0000  0.5000  1
  Cd  Cd1  1  0.0000  0.5000  0.0000  1
  Br  Br2  2  0.2792  0.0000  0.2119  1
  F  F3  2  0.1416  0.5000  0.6927  1
]