data_[Pr16Ag4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0868]
_cell_length_b [5.2958]
_cell_length_c [7.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Ag2Ru]
_chemical_formula_sum '[Pr16 Ag4 Ru2]'
_cell_volume [671.9136]
_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  4  0.0230  0.0000  0.7864  1.0
  Pr  Pr1  4  0.0875  0.5000  0.4395  1.0
  Pr  Pr2  4  0.1551  0.5000  0.9722  1.0
  Pr  Pr3  4  0.2033  0.0000  0.3211  1.0
  Ag  Ag4  4  0.1883  0.0000  0.7309  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]