data_[Ba4Tl12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9384]
_cell_length_b [4.9604]
_cell_length_c [11.9360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaTl3Pt]
_chemical_formula_sum '[Ba4 Tl12 Pt4]'
_cell_volume [588.4251]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.2076  0.2500  0.0006  1.0
  Tl  Tl1  4  0.0596  0.2500  0.5899  1.0
  Tl  Tl2  4  0.1169  0.7500  0.7958  1.0
  Tl  Tl3  4  0.1315  0.7500  0.2030  1.0
  Pt  Pt4  4  0.1042  0.2500  0.3531  1.0
]