data_[Br6Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [12.6127]
_cell_length_b [15.0000]
_cell_length_c [12.7480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Br6Cl5]
_chemical_formula_sum '[Br6 Cl5]'
_cell_volume [2205.0492]
_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
[
  Br  Br0  1  0.2609  0.5000  0.6628  1
  Br  Br1  1  0.4328  0.5000  0.4203  1
  Br  Br2  1  0.6419  0.5000  0.0918  1
  Br  Br3  1  0.6816  0.5000  0.3205  1
  Br  Br4  1  0.7756  0.5000  0.8278  1
  Br  Br5  1  0.9015  0.5000  0.7318  1
  Cl  Cl6  1  0.1356  0.5000  0.7493  1
  Cl  Cl7  1  0.4346  0.5000  0.6087  1
  Cl  Cl8  1  0.4518  0.5000  0.2421  1
  Cl  Cl9  1  0.5984  0.5000  0.9010  1
  Cl  Cl10  1  0.8756  0.5000  0.3962  1
]