data_[Th4In2Si4Ru10]
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
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.1750]
_cell_length_b [10.1750]
_cell_length_c [3.4160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Th2InSi2Ru5]
_chemical_formula_sum '[Th4 In2 Si4 Ru10]'
_cell_volume [353.6571]
_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  0.1768  0.3232  0.0000  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.1210  0.6210  0.0000  1
  Ru  Ru3  8  0.0689  0.7810  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]