data_[Tl4Pt4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6942]
_cell_length_b [5.5657]
_cell_length_c [5.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPtF4]
_chemical_formula_sum '[Tl4 Pt4 F16]'
_cell_volume [419.2295]
_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
[
  Tl  Tl0  4  0.0000  0.2725  0.7500  1.0
  Pt  Pt1  4  0.2500  0.2500  0.5000  1.0
  F  F2  8  0.1073  0.1266  0.4521  1.0
  F  F3  8  0.1919  0.4205  0.1804  1.0
]