data_ScSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   152.6
_cell_angle_beta   140.34
_cell_angle_gamma   48.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Ru
_chemical_formula_sum   'Sc1 Sn2 Ru1'
_cell_volume   85.65
_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  0.33  1.0
  Sn  Sn2  1  0.0  0.25  0.01  1.0
  Sn  Sn3  1  0.0  0.0  0.71  1.0
  Ru  Ru0  1  0.57  0.0  0.04  1.0

data_ScSn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.5
_cell_length_c   6.64
_cell_angle_alpha   109.83
_cell_angle_beta   103.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Ru
_chemical_formula_sum   'Sc1 Sn2 Ru1'
_cell_volume   85.65
_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  0.67  0.67  0.67  1.0
  Sn  Sn1  1  0.29  0.29  0.29  1.0
  Sn  Sn2  1  0.99  0.25  0.25  1.0
  Ru  Ru3  1  0.53  0.96  0.53  1.0

Sc Sn Sn Ru