data_ScOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   146.42
_cell_angle_beta   128.55
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Ru
_chemical_formula_sum   'Sc1 Os2 Ru1'
_cell_volume   61.37
_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  Sc3  1  0.0  0.0  0.69  1.0
  Os  Os0  1  0.51  0.0  0.03  1.0
  Os  Os1  1  0.0  0.0  0.21  1.0
  Ru  Ru2  1  0.0  0.27  0.0  1.0

data_ScOs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.54
_cell_length_c   5.23
_cell_angle_alpha   115.73
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Ru
_chemical_formula_sum   'Sc1 Os2 Ru1'
_cell_volume   61.37
_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  0.31  0.31  0.31  1.0
  Os  Os1  1  0.49  0.97  0.49  1.0
  Os  Os2  1  0.79  0.79  0.79  1.0
  Ru  Ru3  1  1.0  0.27  0.27  1.0

Sc Os Os Ru