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 [P-1]
_cell_length_a [7.6527]
_cell_length_b [7.9705]
_cell_length_c [8.6508]
_cell_angle_alpha [67.6490]
_cell_angle_beta [71.6852]
_cell_angle_gamma [61.7206]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrBr5]
_chemical_formula_sum '[Cr2 Br10]'
_cell_volume [423.9091]
_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  0.0880  0.5544  0.2624  1
  Br  Br1  2  0.0657  0.6729  0.7119  1
  Br  Br2  2  0.0826  0.2001  0.9636  1
  Br  Br3  2  0.2235  0.2973  0.5331  1
  Br  Br4  2  0.2375  0.7432  0.2885  1
  Br  Br5  2  0.3763  0.3764  0.0897  1
]