data_[P8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [11.1571]
_cell_length_b [11.1571]
_cell_length_c [2.9223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [PRu]
_chemical_formula_sum '[P8 Ru8]'
_cell_volume [363.7779]
_cell_formula_units_Z [8]
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
[
  P  P0  4  0.0963  0.6291  0.0000  1
  P  P1  4  0.2549  0.3661  0.5000  1
  Ru  Ru2  4  0.1047  0.4202  0.0000  1
  Ru  Ru3  4  0.2456  0.5797  0.5000  1
]