data_[Pr8Nd12Tl4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.6370]
_cell_length_b [7.0148]
_cell_length_c [6.6474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2Nd3Tl]
_chemical_formula_sum '[Pr8 Nd12 Tl4]'
_cell_volume [811.3149]
_cell_formula_units_Z [4]
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  8  0.1613  0.3978  0.5741  1.0
  Nd  Nd1  8  0.1657  0.1132  0.0404  1.0
  Nd  Nd2  4  0.0000  0.2306  0.2500  1.0
  Tl  Tl3  4  0.0000  0.2729  0.7500  1.0
]