data_[Br4Cl10]
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 [P31m]
_cell_length_a [9.9974]
_cell_length_b [9.9974]
_cell_length_c [18.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Br2Cl5]
_chemical_formula_sum '[Br4 Cl10]'
_cell_volume [1619.1347]
_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
[
  Br  Br0  3  0.0000  0.7740  0.5028  1
  Br  Br1  1  0.0000  0.0000  0.4074  1
  Cl  Cl2  6  0.2161  0.7208  0.4471  1
  Cl  Cl3  3  0.0000  0.6450  0.5988  1
  Cl  Cl4  1  0.0000  0.0000  0.6055  1
]