data_ScSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ru
_chemical_formula_sum   'Sc1 Si2 Ru1'
_cell_volume   60.33
_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
  Sc  Sc1  1  0.0  0.0  0.52  1.0
  Si  Si2  1  0.17  0.0  0.03  1.0
  Si  Si3  1  0.0  0.0  0.6  1.0
  Ru  Ru0  1  0.17  0.0  0.5  1.0

data_ScSi2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScSi2Ru
_chemical_formula_sum   'Sc1 Si2 Ru1'
_cell_volume   60.34
_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
  Sc  Sc0  1  0.0  0.0  0.52  1.0
  Si  Si1  1  0.0  0.0  0.6  1.0
  Si  Si2  1  0.17  0.0  0.03  1.0
  Ru  Ru3  1  0.17  0.0  0.5  1.0

Sc Si Si Ru