data_[Cr2Br6Cl2]
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 [Pmc2_1]
_cell_length_a [18.6951]
_cell_length_b [11.2952]
_cell_length_c [6.7243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CrBr3Cl]
_chemical_formula_sum '[Cr2 Br6 Cl2]'
_cell_volume [1419.9477]
_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  0.2803  0.2883  1
  Br  Br1  4  0.4012  0.3788  0.1844  1
  Br  Br2  2  0.5000  0.0964  0.1530  1
  Cl  Cl3  2  0.5000  0.2668  0.6026  1
]