data_[Pr12Ag4Ru2]
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 [P2_1/c]
_cell_length_a [6.7385]
_cell_length_b [7.8501]
_cell_length_c [12.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Ag2Ru]
_chemical_formula_sum '[Pr12 Ag4 Ru2]'
_cell_volume [567.2795]
_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  0.1245  0.5189  0.7536  1.0
  Pr  Pr1  4  0.2124  0.1805  0.5615  1.0
  Pr  Pr2  4  0.3777  0.6798  0.5516  1.0
  Ag  Ag3  4  0.3242  0.6128  0.2534  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]