data_[Sc2Ru4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2955]
_cell_length_b [2.8524]
_cell_length_c [4.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScRu2Pt]
_chemical_formula_sum '[Sc2 Ru4 Pt2]'
_cell_volume [124.9382]
_cell_formula_units_Z [2]
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  2  0.0002  0.5000  0.5117  1
  Ru  Ru1  2  0.0033  0.0000  0.0325  1
  Ru  Ru2  2  0.2425  0.5000  0.2144  1
  Pt  Pt3  2  0.2541  0.0000  0.7414  1
]