data_[Cr1Sb1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3508]
_cell_length_b [3.6228]
_cell_length_c [7.7844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrSbBr2]
_chemical_formula_sum '[Cr1 Sb1 Br2]'
_cell_volume [121.9838]
_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  0.1236  0.0000  0.4034  1
  Sb  Sb1  1  0.6193  0.5000  0.3499  1
  Br  Br2  1  0.3312  0.5000  0.6574  1
  Br  Br3  1  0.9259  0.0000  0.0892  1
]