data_[Th8As12Ru14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5452]
_cell_length_b [8.5452]
_cell_length_c [8.5452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Th4As6Ru7]
_chemical_formula_sum '[Th8 As12 Ru14]'
_cell_volume [623.9646]
_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  8  0.2500  0.2500  0.2500  1
  As  As1  12  0.0000  0.0000  0.3204  1
  Ru  Ru2  12  0.0000  0.2500  0.5000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]