data_MoRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.99
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh2Cl
_chemical_formula_sum   'Mo1 Rh2 Cl1'
_cell_volume   60.59
_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  0.46  0.0  0.65  1.0
  Rh  Rh2  1  0.93  0.99  0.94  1.0
  Rh  Rh3  1  0.85  0.99  0.35  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MoRh2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.87
_cell_length_b   3.99
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoRh2Cl
_chemical_formula_sum   'Mo1 Rh2 Cl1'
_cell_volume   60.59
_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
  Mo  Mo0  1  0.46  0.0  0.65  1.0
  Rh  Rh1  1  0.85  0.0  0.35  1.0
  Rh  Rh2  1  0.93  0.0  0.94  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Mo Rh Rh Cl