data_[Cr1Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1423]
_cell_length_b [3.5820]
_cell_length_c [6.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cr(BrCl)2]
_chemical_formula_sum '[Cr1 Br2 Cl2]'
_cell_volume [137.7953]
_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  0.5000  0.5000  0.0000  1
  Br  Br1  2  0.2904  0.0000  0.1691  1
  Cl  Cl2  2  0.2512  0.5000  0.7172  1
]