data_[Th2U4Re18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4886]
_cell_length_b [5.1466]
_cell_length_c [9.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThU2Re9]
_chemical_formula_sum '[Th2 U4 Re18]'
_cell_volume [441.4222]
_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  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.1615  0.0000  0.4412  1
  Re  Re2  8  0.1580  0.2456  0.7468  1
  Re  Re3  4  0.0930  0.5000  0.2479  1
  Re  Re4  4  0.1861  0.5000  0.9940  1
  Re  Re5  2  0.0000  0.5000  0.5000  1
]