data_BrCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   10.23
_cell_length_c   10.23
_cell_angle_alpha   22.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl5
_chemical_formula_sum   'Br1 Cl5'
_cell_volume   171.67
_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  0.15  0.0  0.32  1.0
  Cl  Cl1  1  0.15  0.0  0.95  1.0
  Cl  Cl2  1  0.15  0.0  0.87  1.0
  Cl  Cl3  1  0.0  0.0  0.72  1.0
  Cl  Cl4  1  0.0  0.0  0.17  1.0
  Cl  Cl5  1  0.0  0.0  0.53  1.0

data_BrCl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.3
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl5
_chemical_formula_sum   'Br1 Cl5'
_cell_volume   171.67
_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  0.68  0.15  0.68  1.0
  Cl  Cl1  1  0.05  0.15  0.05  1.0
  Cl  Cl2  1  0.13  0.15  0.13  1.0
  Cl  Cl3  1  0.28  0.0  0.28  1.0
  Cl  Cl4  1  0.47  0.0  0.47  1.0
  Cl  Cl5  1  0.83  0.0  0.83  1.0

Br Cl Cl Cl Cl Cl