data_[Al6P4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [9.0280]
_cell_length_b [9.0280]
_cell_length_c [2.9924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Al3(PRu2)2]
_chemical_formula_sum '[Al6 P4 Ru8]'
_cell_volume [243.8972]
_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
[
  Al  Al0  4  0.0000  0.3382  0.5000  1
  Al  Al1  1  0.0000  0.0000  0.5000  1
  Al  Al2  1  0.5000  0.5000  0.5000  1
  P  P3  4  0.3135  0.3135  0.5000  1
  Ru  Ru4  4  0.1725  0.1725  0.0000  1
  Ru  Ru5  4  0.1751  0.5000  0.0000  1
]