data_[Pa12Ge8Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [9.2740]
_cell_length_b [9.2740]
_cell_length_c [9.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Pa3(GeRu3)2]
_chemical_formula_sum '[Pa12 Ge8 Ru24]'
_cell_volume [797.6305]
_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
[
  Pa  Pa0  12  0.0000  0.0000  0.2869  1
  Ge  Ge1  8  0.2500  0.2500  0.2500  1
  Ru  Ru2  24  0.0000  0.3502  0.6498  1
]