data_[Th16Sb4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5137]
_cell_length_b [10.0228]
_cell_length_c [10.3024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Th4SbRu2]
_chemical_formula_sum '[Th16 Sb4 Ru8]'
_cell_volume [879.1215]
_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  0.0593  0.7463  1
  Th  Th1  8  0.2069  0.2500  0.0175  1
  Sb  Sb2  4  0.0000  0.2500  0.2954  1
  Ru  Ru3  4  0.0000  0.0000  0.0000  1
  Ru  Ru4  4  0.2500  0.2500  0.7500  1
]