data_Mo3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.91
_cell_angle_alpha   98.27
_cell_angle_beta   98.27
_cell_angle_gamma   32.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Rh
_chemical_formula_sum   'Mo3 Rh1'
_cell_volume   61.95
_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  Mo0  1  0.92  0.0  0.25  1.0
  Mo  Mo1  1  0.69  0.0  0.61  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.3  0.0  0.43  1.0

data_Mo3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.87
_cell_length_c   4.91
_cell_angle_alpha   98.27
_cell_angle_beta   90.0
_cell_angle_gamma   106.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Rh
_chemical_formula_sum   'Mo3 Rh1'
_cell_volume   61.95
_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  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.08  0.75  1.0
  Mo  Mo2  1  0.0  0.31  0.39  1.0
  Rh  Rh3  1  0.0  0.7  0.57  1.0

Mo Mo Mo Rh