data_[Pa2B1P1Ru6]
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
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3234]
_cell_length_b [4.3234]
_cell_length_c [8.5903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pa2BPRu6]
_chemical_formula_sum '[Pa2 B1 P1 Ru6]'
_cell_volume [160.5646]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2623  1
  B  B1  1  0.5000  0.5000  0.5000  1
  P  P2  1  0.5000  0.5000  0.0000  1
  Ru  Ru3  2  0.0000  0.5000  0.0000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
  Ru  Ru5  2  0.5000  0.5000  0.2610  1
]