data_SbMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.04
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoRu2
_chemical_formula_sum   'Sb1 Mo1 Ru2'
_cell_volume   65.19
_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
  Sb  Sb3  1  0.5  0.02  0.54  1.0
  Mo  Mo0  1  0.0  0.0  0.19  1.0
  Ru  Ru1  1  0.5  0.02  0.21  1.0
  Ru  Ru2  1  0.0  0.0  0.48  1.0

data_SbMoRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.04
_cell_length_b   3.0
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SbMoRu2
_chemical_formula_sum   'Sb1 Mo1 Ru2'
_cell_volume   65.19
_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
  Sb  Sb0  1  0.02  0.0  0.54  1.0
  Mo  Mo1  1  0.0  0.5  0.19  1.0
  Ru  Ru2  1  0.0  0.5  0.48  1.0
  Ru  Ru3  1  0.02  0.0  0.21  1.0

Sb Mo Ru Ru