data_MnSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.41
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Ru
_chemical_formula_sum   'Mn1 Si2 Ru1'
_cell_volume   50.6
_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
  Mn  Mn0  1  0.0  0.0  0.36  1.0
  Si  Si2  1  0.0  0.0  0.09  1.0
  Si  Si3  1  0.44  0.7  0.4  1.0
  Ru  Ru1  1  0.44  0.7  0.07  1.0

data_MnSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.41
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Ru
_chemical_formula_sum   'Mn1 Si2 Ru1'
_cell_volume   50.6
_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
  Mn  Mn0  1  0.0  0.0  0.36  1.0
  Si  Si1  1  0.0  0.0  0.09  1.0
  Si  Si2  1  0.44  0.7  0.4  1.0
  Ru  Ru3  1  0.44  0.7  0.07  1.0

Mn Si Si Ru
Mn Si Si Ru 0 2 o - o 0 2 - - o 0 1 o o o 1 3 o - o 1 3 - - o 2 3 o o o 