data_[Pr12In6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4937]
_cell_length_b [9.3536]
_cell_length_c [13.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6In3Ru]
_chemical_formula_sum '[Pr12 In6 Ru2]'
_cell_volume [609.0313]
_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  0.0661  0.6919  0.0710  1.0
  Pr  Pr1  4  0.2492  0.0093  0.2382  1.0
  Pr  Pr2  4  0.4097  0.6516  0.4217  1.0
  In  In3  4  0.2260  0.1565  0.7351  1.0
  In  In4  2  0.5000  0.0000  0.5000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.0000  1.0
]