data_RhSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   21.56
_cell_angle_beta   21.56
_cell_angle_gamma   21.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhSeCl2
_chemical_formula_sum   'Rh1 Se1 Cl2'
_cell_volume   87.29
_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  0.0  0.0  0.24  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.64  1.0
  Cl  Cl1  1  0.0  0.0  0.83  1.0

data_RhSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RhSeCl2
_chemical_formula_sum   'Rh2 Se2 Cl4'
_cell_volume   174.57
_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  0.0  0.0  0.76  1.0
  Se  Se1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  -0.0  0.0  0.36  1.0
  Cl  Cl3  2  -0.0  0.0  0.17  1.0

Rh Se Cl Cl
Rh Se Cl Cl 0 1 o o o 1 3 o o - 2 3 o o o 