data_[Pr14Sn4Ru4]
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 [Imm2]
_cell_length_a [3.8892]
_cell_length_b [16.6363]
_cell_length_c [10.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pr7(SnRu)2]
_chemical_formula_sum '[Pr14 Sn4 Ru4]'
_cell_volume [666.3874]
_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  0.0000  0.1505  0.2537  1.0
  Pr  Pr1  4  0.0000  0.1823  0.9047  1.0
  Pr  Pr2  4  0.0000  0.3743  0.0997  1.0
  Pr  Pr3  2  0.0000  0.5000  0.5303  1.0
  Sn  Sn4  2  0.0000  0.0000  0.7729  1.0
  Sn  Sn5  2  0.0000  0.5000  0.8488  1.0
  Ru  Ru6  4  0.0000  0.2593  0.5929  1.0
]