data_[Pr36Cd18In3]
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 [R-3]
_cell_length_a [15.3342]
_cell_length_b [15.3342]
_cell_length_c [8.4841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Cd6In]
_chemical_formula_sum '[Pr36 Cd18 In3]'
_cell_volume [1727.6796]
_cell_formula_units_Z [3]
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  18  0.0085  0.1389  0.6705  1.0
  Pr  Pr1  18  0.0661  0.5672  0.6739  1.0
  Cd  Cd2  18  0.0286  0.2760  0.3271  1.0
  In  In3  3  0.0000  0.0000  0.0000  1.0
]