data_[Cr2Br10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4169]
_cell_length_b [3.6816]
_cell_length_c [9.3955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrBr5]
_chemical_formula_sum '[Cr2 Br10]'
_cell_volume [412.5367]
_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  0.2103  0.5000  0.5008  1
  Br  Br1  2  0.0120  0.0000  0.9990  1
  Br  Br2  2  0.0844  0.0000  0.5018  1
  Br  Br3  2  0.1787  0.5000  0.9995  1
  Br  Br4  2  0.3360  0.0000  0.4993  1
  Br  Br5  2  0.3451  0.0000  0.9996  1
]