data_[Tl8Re4]
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 [C2/m]
_cell_length_a [15.4472]
_cell_length_b [2.9749]
_cell_length_c [6.5486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Re]
_chemical_formula_sum '[Tl8 Re4]'
_cell_volume [294.9502]
_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  0.1050  0.0000  0.1269  1
  Tl  Tl1  4  0.1954  0.0000  0.6860  1
  Re  Re2  4  0.0258  0.5000  0.6735  1
]