data_[Pr4Al2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2952]
_cell_length_b [3.9447]
_cell_length_c [7.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr2AlRu]
_chemical_formula_sum '[Pr4 Al2 Ru2]'
_cell_volume [223.6349]
_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
[
  Pr  Pr0  2  0.3106  0.5000  0.3459  1
  Pr  Pr1  2  0.4759  0.5000  0.9031  1
  Al  Al2  2  0.2015  0.0000  0.6228  1
  Ru  Ru3  2  0.0120  0.5000  0.6282  1
]