data_[Pa2P4Os3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1672]
_cell_length_b [4.1672]
_cell_length_c [9.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pa2P4Os3Ru]
_chemical_formula_sum '[Pa2 P4 Os3 Ru1]'
_cell_volume [161.8971]
_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  0.5000  0.7562  1
  P  P1  2  0.0000  0.5000  0.3683  1
  P  P2  1  0.0000  0.0000  0.0000  1
  P  P3  1  0.5000  0.5000  0.0000  1
  Os  Os4  2  0.0000  0.5000  0.1182  1
  Os  Os5  1  0.0000  0.0000  0.5000  1
  Ru  Ru6  1  0.5000  0.5000  0.5000  1
]