data_[Pr12Cd1In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0276]
_cell_length_b [5.0276]
_cell_length_c [20.0523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr12CdIn3]
_chemical_formula_sum '[Pr12 Cd1 In3]'
_cell_volume [506.8525]
_cell_formula_units_Z [1]
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  0.5000  0.1250  1
  Pr  Pr1  4  0.0000  0.5000  0.3745  1
  Pr  Pr2  2  0.5000  0.5000  0.2485  1
  Pr  Pr3  1  0.5000  0.5000  0.0000  1
  Pr  Pr4  1  0.5000  0.5000  0.5000  1
  Cd  Cd5  1  0.0000  0.0000  0.0000  1
  In  In6  2  0.0000  0.0000  0.2493  1
  In  In7  1  0.0000  0.0000  0.5000  1
]