data_[Th24In4Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5566]
_cell_length_b [9.5569]
_cell_length_c [11.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Th6InRe2]
_chemical_formula_sum '[Th24 In4 Re8]'
_cell_volume [1021.5145]
_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
[
  Th  Th0  8  0.0000  0.2047  0.2405  1
  Th  Th1  8  0.1922  0.5000  0.1647  1
  Th  Th2  8  0.2037  0.3168  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Re  Re5  4  0.0000  0.3281  0.0000  1
  Re  Re6  4  0.0000  0.5000  0.3645  1
]