data_[Pr4U4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5453]
_cell_length_b [5.0852]
_cell_length_c [10.5125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrURu2]
_chemical_formula_sum '[Pr4 U4 Ru8]'
_cell_volume [349.8990]
_cell_formula_units_Z [4]
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  4  0.1724  0.7500  0.8395  1
  U  U1  4  0.0269  0.2500  0.6157  1
  Ru  Ru2  4  0.1173  0.7500  0.1417  1
  Ru  Ru3  4  0.2399  0.7500  0.5254  1
]