data_BRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRhCl2
_chemical_formula_sum   'B1 Rh1 Cl2'
_cell_volume   82.09
_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
  B  B0  1  0.0  0.0  0.21  1.0
  Rh  Rh3  1  0.7  0.0  0.1  1.0
  Cl  Cl1  1  0.7  0.0  0.74  1.0
  Cl  Cl2  1  0.0  0.0  0.95  1.0

data_BRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.7
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRhCl2
_chemical_formula_sum   'B1 Rh1 Cl2'
_cell_volume   82.09
_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
  B  B0  1  0.0  0.0  0.21  1.0
  Rh  Rh1  1  0.0  0.7  0.1  1.0
  Cl  Cl2  1  0.0  0.0  0.95  1.0
  Cl  Cl3  1  0.0  0.7  0.74  1.0

B Rh Cl Cl
B Rh Cl Cl 0 1 - o o 0 3 o o - 1 3 + o - 2 3 + o o 