data_[Tl4Cu8Pt4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0595]
_cell_length_b [12.3591]
_cell_length_c [8.2535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCu2PtI6]
_chemical_formula_sum '[Tl4 Cu8 Pt4 I24]'
_cell_volume [1508.8192]
_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  0.0526  0.2500  1
  Cu  Cu1  8  0.2164  0.4027  0.1591  1
  Pt  Pt2  4  0.0000  0.1913  0.7500  1
  I  I3  8  0.1216  0.2089  0.0758  1
  I  I4  8  0.1318  0.1847  0.6319  1
  I  I5  8  0.1537  0.4783  0.3893  1
]