data_[Ba16Tl4Pt4]
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 [10.3903]
_cell_length_b [17.2604]
_cell_length_c [7.9534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4TlPt]
_chemical_formula_sum '[Ba16 Tl4 Pt4]'
_cell_volume [1155.6482]
_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  0.1403  0.7929  0.1341  1.0
  Ba  Ba1  8  0.2460  0.9654  0.7315  1.0
  Tl  Tl2  4  0.0000  0.3708  0.2500  1.0
  Pt  Pt3  4  0.0000  0.0733  0.7500  1.0
]