data_MoRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   130.97
_cell_angle_beta   130.97
_cell_angle_gamma   71.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRuRh2
_chemical_formula_sum   'Mo1 Ru1 Rh2'
_cell_volume   57.83
_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
  Ru  Ru3  1  0.0  0.95  0.9  1.0
  Rh  Rh1  1  0.95  0.0  0.9  1.0
  Rh  Rh2  1  0.0  0.0  0.8  1.0

data_MoRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.7
_cell_angle_alpha   114.51
_cell_angle_beta   114.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRuRh2
_chemical_formula_sum   'Mo1 Ru1 Rh2'
_cell_volume   57.83
_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
  Ru  Ru1  1  0.95  0.9  0.95  1.0
  Rh  Rh2  1  0.8  0.8  0.8  1.0
  Rh  Rh3  1  0.9  0.95  0.95  1.0

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