data_Ba2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   8.51
_cell_angle_alpha   31.24
_cell_angle_beta   31.24
_cell_angle_gamma   31.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2RhBr
_chemical_formula_sum   'Ba2 Rh1 Br1'
_cell_volume   147.25
_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
  Ba  Ba0  1  0.0  0.0  0.54  1.0
  Ba  Ba1  1  0.0  0.0  0.74  1.0
  Rh  Rh3  1  0.0  0.0  0.14  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Ba2RhBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.94
_cell_length_b   4.58
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2RhBr
_chemical_formula_sum   'Ba4 Rh2 Br2'
_cell_volume   294.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  -0.0  0.0  0.46  1.0
  Ba  Ba1  2  -0.0  0.0  0.26  1.0
  Rh  Rh2  2  -0.0  0.0  0.86  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ba Ba Rh Br
Ba Ba Rh Br 0 1 o o o 2 3 o o o 