data_SbMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Rh
_chemical_formula_sum   'Sb1 Mo2 Rh1'
_cell_volume   66.87
_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
  Sb  Sb3  1  0.62  0.0  0.0  1.0
  Mo  Mo0  1  0.31  0.85  0.49  1.0
  Mo  Mo1  1  0.31  0.15  0.49  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_SbMo2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.03
_cell_length_b   2.97
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   117.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SbMo2Rh
_chemical_formula_sum   'Sb1 Mo2 Rh1'
_cell_volume   66.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sb  Sb0  1  0.62  0.0  0.0  1.0
  Mo  Mo1  1  0.31  0.5  0.15  1.0
  Mo  Mo2  1  0.31  0.5  0.85  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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