data_SrMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.6
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoRh2
_chemical_formula_sum   'Sr1 Mo1 Rh2'
_cell_volume   78.4
_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
  Sr  Sr3  1  0.98  0.0  0.49  1.0
  Mo  Mo0  1  0.99  0.3  0.95  1.0
  Rh  Rh1  1  0.86  0.0  0.28  1.0
  Rh  Rh2  1  0.46  0.3  0.37  1.0

data_SrMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.6
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoRh2
_chemical_formula_sum   'Sr1 Mo1 Rh2'
_cell_volume   78.4
_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
  Sr  Sr0  1  0.98  0.0  0.49  1.0
  Mo  Mo1  1  0.99  0.3  0.95  1.0
  Rh  Rh2  1  0.46  0.3  0.37  1.0
  Rh  Rh3  1  0.86  0.0  0.28  1.0

Sr Mo Rh Rh
Sr Mo Rh Rh 0 2 o o o 0 1 o o o 0 3 + o o 0 3 o o o 1 2 o o + 1 3 o o + 1 3 + o + 1 1 + o o 2 3 + o o 2 3 o o o 