data_BiSb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSb2Rh
_chemical_formula_sum   'Bi1 Sb2 Rh1'
_cell_volume   98.57
_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
  Bi  Bi0  1  0.0  0.0  0.59  1.0
  Sb  Sb2  1  0.64  0.64  0.66  1.0
  Sb  Sb3  1  0.64  0.64  0.52  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_BiSb2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiSb2Rh
_chemical_formula_sum   'Bi2 Sb4 Rh2'
_cell_volume   197.14
_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
  Bi  Bi0  2  0.0  0.0  0.59  1.0
  Sb  Sb1  2  0.14  0.5  0.52  1.0
  Sb  Sb2  2  0.14  0.5  0.66  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Bi Sb Sb Rh
Bi Sb Sb Rh 0 2 - - o 0 1 - - o 0 3 o o + 1 2 o o o 1 3 + + + 1 3 + o + 1 3 o + + 3 3 + o o 3 3 o + o 