data_[Tl16Sb4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6125]
_cell_length_b [15.0158]
_cell_length_c [7.6082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl4SbI]
_chemical_formula_sum '[Tl16 Sb4 I4]'
_cell_volume [984.1618]
_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  8  0.2070  0.0145  0.7246  1
  Tl  Tl1  8  0.2422  0.2426  0.7481  1
  Sb  Sb2  4  0.0000  0.1409  0.2500  1
  I  I3  4  0.0000  0.4007  0.7500  1
]