data_[Pr4Nd12Tl8]
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/m]
_cell_length_a [17.1108]
_cell_length_b [5.4989]
_cell_length_c [9.5529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd3Tl2]
_chemical_formula_sum '[Pr4 Nd12 Tl8]'
_cell_volume [777.4072]
_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  4  0.1282  0.0000  0.1742  1
  Nd  Nd1  4  0.0588  0.0000  0.7142  1
  Nd  Nd2  4  0.1191  0.5000  0.5466  1
  Nd  Nd3  4  0.1957  0.5000  0.0007  1
  Tl  Tl4  4  0.0169  0.5000  0.1694  1
  Tl  Tl5  4  0.2272  0.0000  0.5923  1
]