data_ScSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.78
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   39.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ru
_chemical_formula_sum   'Sc1 Si2 Ru1'
_cell_volume   62.58
_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  0.22  0.0  0.13  1.0
  Si  Si2  1  0.47  0.0  0.38  1.0
  Si  Si3  1  0.32  0.0  0.44  1.0
  Ru  Ru0  1  0.81  0.0  0.66  1.0

data_ScSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.58
_cell_length_c   4.78
_cell_angle_alpha   102.42
_cell_angle_beta   90.0
_cell_angle_gamma   109.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ru
_chemical_formula_sum   'Sc1 Si2 Ru1'
_cell_volume   62.58
_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  Sc0  1  0.0  0.78  0.87  1.0
  Si  Si1  1  0.0  0.53  0.62  1.0
  Si  Si2  1  0.0  0.68  0.56  1.0
  Ru  Ru3  1  0.0  0.19  0.34  1.0

Sc Si Si Ru
Sc Si Si Ru 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 