data_[Pr8Sn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4900]
_cell_length_b [4.5352]
_cell_length_c [11.3357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sn2Ru]
_chemical_formula_sum '[Pr8 Sn8 Ru4]'
_cell_volume [533.2079]
_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  0.0053  0.0000  0.6696  1.0
  Pr  Pr1  4  0.1884  0.0000  0.1255  1.0
  Sn  Sn2  4  0.0217  0.5000  0.8808  1.0
  Sn  Sn3  4  0.1617  0.5000  0.5507  1.0
  Ru  Ru4  4  0.2217  0.5000  0.3302  1.0
]