data_[Pr1Nd1Tl2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7795]
_cell_length_b [4.7795]
_cell_length_c [7.6709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrNd(TlZn)2]
_chemical_formula_sum '[Pr1 Nd1 Tl2 Zn2]'
_cell_volume [151.7559]
_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  1  0.0000  0.0000  0.3467  1
  Nd  Nd1  1  0.0000  0.0000  0.8468  1
  Tl  Tl2  1  0.3333  0.6667  0.6278  1
  Tl  Tl3  1  0.6667  0.3333  0.1192  1
  Zn  Zn4  1  0.3333  0.6667  0.0444  1
  Zn  Zn5  1  0.6667  0.3333  0.5520  1
]