data_[Pa4B6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9200]
_cell_length_b [3.8162]
_cell_length_c [5.4248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2B3Ru2]
_chemical_formula_sum '[Pa4 B6 Ru4]'
_cell_volume [201.8340]
_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
[
  Pa  Pa0  4  0.1093  0.0000  0.7729  1
  B  B1  4  0.0949  0.5000  0.3529  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  4  0.1859  0.0000  0.3036  1
]