data_MoRhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   153.41
_cell_angle_beta   153.41
_cell_angle_gamma   37.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhCl
_chemical_formula_sum   'Mo1 Rh1 Cl1'
_cell_volume   50.27
_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
  Mo  Mo1  1  0.0  0.0  0.97  1.0
  Rh  Rh2  1  0.0  0.0  0.3  1.0
  Cl  Cl0  1  0.0  0.0  0.61  1.0

data_MoRhCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoRhCl
_chemical_formula_sum   'Mo2 Rh2 Cl2'
_cell_volume   100.55
_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
  Mo  Mo0  2  0.47  0.5  0.97  1.0
  Rh  Rh1  2  0.3  0.0  0.3  1.0
  Cl  Cl2  2  0.11  0.5  0.61  1.0

Mo Rh Cl
Mo Rh Cl 0 2 o o o 0 1 o o + 1 2 o o o 