data_[Th14Tl4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8710]
_cell_length_b [16.5294]
_cell_length_c [10.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th7(TlRe)2]
_chemical_formula_sum '[Th14 Tl4 Re4]'
_cell_volume [652.3054]
_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
[
  Th  Th0  4  0.0000  0.1551  0.2633  1
  Th  Th1  4  0.0000  0.1779  0.8953  1
  Th  Th2  4  0.0000  0.3587  0.1011  1
  Th  Th3  2  0.0000  0.5000  0.5398  1
  Tl  Tl4  2  0.0000  0.0000  0.7539  1
  Tl  Tl5  2  0.0000  0.5000  0.8676  1
  Re  Re6  4  0.0000  0.2728  0.5866  1
]