data_[Sc22Tl18Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.2842]
_cell_length_b [21.3368]
_cell_length_c [3.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc11Tl9Pt4]
_chemical_formula_sum '[Sc22 Tl18 Pt8]'
_cell_volume [1047.9721]
_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  8  0.2467  0.1699  0.0000  1
  Sc  Sc1  4  0.0000  0.1587  0.0000  1
  Sc  Sc2  4  0.0000  0.3707  0.0000  1
  Sc  Sc3  4  0.1917  0.5000  0.0000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  8  0.1105  0.2566  0.5000  1
  Tl  Tl6  8  0.1395  0.0744  0.5000  1
  Tl  Tl7  2  0.0000  0.5000  0.5000  1
  Pt  Pt8  8  0.1505  0.3990  0.5000  1
]