data_ScRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.85
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu2Pt
_chemical_formula_sum   'Sc1 Ru2 Pt1'
_cell_volume   62.75
_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  0.0  1.0
  Ru  Ru1  1  0.71  0.0  0.29  1.0
  Ru  Ru2  1  0.61  0.0  0.48  1.0
  Pt  Pt0  1  0.16  0.0  0.38  1.0

data_ScRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.82
_cell_length_c   4.85
_cell_angle_alpha   100.1
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu2Pt
_chemical_formula_sum   'Sc1 Ru2 Pt1'
_cell_volume   62.75
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.29  0.71  1.0
  Ru  Ru2  1  0.0  0.39  0.52  1.0
  Pt  Pt3  1  0.0  0.84  0.62  1.0

Sc Ru Ru Pt
Sc Ru Ru Pt 0 1 - o o 0 3 o o o 1 2 o o o 1 3 + o o 2 3 o o o 