data_[Ba8Tl4Pt8]
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 [C2/c]
_cell_length_a [10.8456]
_cell_length_b [6.3036]
_cell_length_c [8.7514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2TlPt2]
_chemical_formula_sum '[Ba8 Tl4 Pt8]'
_cell_volume [580.7740]
_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  8  0.1458  0.3512  0.1455  1.0
  Tl  Tl1  4  0.0000  0.1410  0.7500  1.0
  Pt  Pt2  8  0.1426  0.1400  0.4999  1.0
]