data_[Pr12Sn4Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4632]
_cell_length_b [8.6795]
_cell_length_c [12.3088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Sn2Ir]
_chemical_formula_sum '[Pr12 Sn4 Ir2]'
_cell_volume [590.5891]
_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  0.0753  0.1705  0.4481  1.0
  Pr  Pr1  4  0.3170  0.6845  0.4494  1.0
  Pr  Pr2  4  0.3500  0.0290  0.2430  1.0
  Sn  Sn3  4  0.1743  0.1152  0.7557  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]