data_[Sc2Pt4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4583]
_cell_length_b [2.8449]
_cell_length_c [4.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScPt2W]
_chemical_formula_sum '[Sc2 Pt4 W2]'
_cell_volume [133.1362]
_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  0.0046  0.5000  0.5366  1
  Pt  Pt1  2  0.0018  0.0000  0.0397  1
  Pt  Pt2  2  0.2496  0.0000  0.7211  1
  W  W3  2  0.2439  0.5000  0.2026  1
]