data_[Tl16Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [11.5087]
_cell_length_b [11.5087]
_cell_length_c [3.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tl8Re]
_chemical_formula_sum '[Tl16 Re2]'
_cell_volume [509.9134]
_cell_formula_units_Z [2]
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  0.0000  0.3261  0.0000  1
  Tl  Tl1  8  0.1422  0.1422  0.5000  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
]