data_RhSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhSeBr2
_chemical_formula_sum   'Rh1 Se1 Br2'
_cell_volume   106.27
_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
  Rh  Rh2  1  0.82  0.0  0.31  1.0
  Se  Se3  1  0.0  0.0  0.87  1.0
  Br  Br0  1  0.82  0.0  0.38  1.0
  Br  Br1  1  0.0  0.0  0.12  1.0

data_RhSeBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   6.33
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RhSeBr2
_chemical_formula_sum   'Rh2 Se2 Br4'
_cell_volume   212.55
_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
  Rh  Rh0  2  0.18  0.0  0.69  1.0
  Se  Se1  2  0.0  0.0  0.13  1.0
  Br  Br2  2  0.0  0.0  0.88  1.0
  Br  Br3  2  0.18  0.0  0.62  1.0

Rh Se Br Br
Rh Se Br Br 0 2 o o o 0 3 + o o 1 3 o o + 