data_MgSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   33.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiRu2
_chemical_formula_sum   'Mg1 Si1 Ru2'
_cell_volume   58.22
_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
  Mg  Mg0  1  0.0  0.0  0.89  1.0
  Si  Si3  1  0.14  0.0  0.53  1.0
  Ru  Ru1  1  0.14  0.0  0.07  1.0
  Ru  Ru2  1  0.0  0.0  0.38  1.0

data_MgSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.28
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiRu2
_chemical_formula_sum   'Mg1 Si1 Ru2'
_cell_volume   58.22
_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
  Mg  Mg0  1  0.11  0.0  0.11  1.0
  Si  Si1  1  0.47  0.14  0.47  1.0
  Ru  Ru2  1  0.62  0.0  0.62  1.0
  Ru  Ru3  1  0.93  0.14  0.93  1.0

Mg Si Ru Ru