data_[Sc16Tl4Pt2]
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 [C2/m]
_cell_length_a [18.0975]
_cell_length_b [4.7958]
_cell_length_c [6.2269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Tl2Pt]
_chemical_formula_sum '[Sc16 Tl4 Pt2]'
_cell_volume [516.6943]
_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  4  0.0184  0.0000  0.7800  1.0
  Sc  Sc1  4  0.0890  0.5000  0.4592  1.0
  Sc  Sc2  4  0.1482  0.5000  0.0041  1.0
  Sc  Sc3  4  0.2174  0.0000  0.3270  1.0
  Tl  Tl4  4  0.1783  0.0000  0.7524  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]