data_[Cr6Br14]
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 [Pc]
_cell_length_a [18.3487]
_cell_length_b [7.3807]
_cell_length_c [14.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cr3Br7]
_chemical_formula_sum '[Cr6 Br14]'
_cell_volume [1935.5786]
_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  0.4820  0.0731  0.7156  1
  Cr  Cr1  2  0.5104  0.3697  0.0445  1
  Cr  Cr2  2  0.5114  0.4767  0.3093  1
  Br  Br3  2  0.4147  0.4124  0.9210  1
  Br  Br4  2  0.4353  0.3877  0.6747  1
  Br  Br5  2  0.4426  0.1770  0.3165  1
  Br  Br6  2  0.4487  0.0656  0.0663  1
  Br  Br7  2  0.5773  0.2156  0.8134  1
  Br  Br8  2  0.5840  0.3958  0.4539  1
  Br  Br9  2  0.5967  0.3471  0.1842  1
]