data_[Y2Sc1Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0891]
_cell_length_b [4.0891]
_cell_length_c [12.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y2ScPt9]
_chemical_formula_sum '[Y2 Sc1 Pt9]'
_cell_volume [204.9285]
_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
[
  Y  Y0  2  0.0000  0.0000  0.3305  1
  Sc  Sc1  1  0.0000  0.0000  0.0000  1
  Pt  Pt2  4  0.0000  0.5000  0.1586  1
  Pt  Pt3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  2  0.5000  0.5000  0.3295  1
  Pt  Pt5  1  0.5000  0.5000  0.0000  1
]