data_[Th8Pa4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2772]
_cell_length_b [6.0301]
_cell_length_c [7.8749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th2PaRu2]
_chemical_formula_sum '[Th8 Pa4 Ru8]'
_cell_volume [480.2204]
_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  0.1518  0.3775  0.1509  1
  Pa  Pa1  4  0.0000  0.1451  0.7500  1
  Ru  Ru2  8  0.1233  0.1300  0.5043  1
]