data_[Tl48Rh16I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [14.1683]
_cell_length_b [14.1683]
_cell_length_c [14.1683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Tl3RhI]
_chemical_formula_sum '[Tl48 Rh16 I16]'
_cell_volume [2844.1515]
_cell_formula_units_Z [16]
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  48  0.0000  0.0000  0.3047  1.0
  Rh  Rh1  16  0.1250  0.1250  0.6250  1.0
  I  I2  16  0.1250  0.1250  0.1250  1.0
]