data_[Pr4Tl2Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3536]
_cell_length_b [5.3536]
_cell_length_c [10.5869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr4Tl2Cd3]
_chemical_formula_sum '[Pr4 Tl2 Cd3]'
_cell_volume [262.7780]
_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  2  0.0000  0.0000  0.3334  1
  Pr  Pr1  2  0.3333  0.6667  0.1150  1
  Tl  Tl2  2  0.3333  0.6667  0.7871  1
  Cd  Cd3  2  0.3333  0.6667  0.4754  1
  Cd  Cd4  1  0.0000  0.0000  0.0000  1
]