data_SiMoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.44
_cell_length_c   2.96
_cell_angle_alpha   76.0
_cell_angle_beta   72.68
_cell_angle_gamma   31.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoRu
_chemical_formula_sum   'Si1 Mo1 Ru1'
_cell_volume   44.12
_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
  Si  Si2  1  0.97  0.21  0.21  1.0
  Mo  Mo0  1  0.97  0.21  0.04  1.0
  Ru  Ru1  1  0.97  0.21  0.02  1.0

data_SiMoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   10.13
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   131.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiMoRu
_chemical_formula_sum   'Si2 Mo2 Ru2'
_cell_volume   88.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.21  0.0  0.18  1.0
  Mo  Mo1  2  0.04  0.0  0.01  1.0
  Ru  Ru2  2  0.02  0.0  0.99  1.0

Si Mo Ru