data_[Pr6Si8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3658]
_cell_length_b [4.1904]
_cell_length_c [8.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Si2Ru)2]
_chemical_formula_sum '[Pr6 Si8 Ru4]'
_cell_volume [374.9158]
_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  0.1084  0.5000  0.6943  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.1143  0.0000  0.4033  1.0
  Si  Si3  4  0.2221  0.5000  0.0780  1.0
  Ru  Ru4  4  0.1934  0.5000  0.3566  1.0
]