data_[Nd24Al8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.0903]
_cell_length_b [10.1680]
_cell_length_c [10.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6Al2Tl]
_chemical_formula_sum '[Nd24 Al8 Tl4]'
_cell_volume [1120.8480]
_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
[
  Nd  Nd0  8  0.0000  0.2879  0.3218  1
  Nd  Nd1  8  0.1845  0.2762  0.0000  1
  Nd  Nd2  8  0.2038  0.0000  0.2443  1
  Al  Al3  4  0.0000  0.5000  0.1205  1
  Al  Al4  4  0.1367  0.5000  0.5000  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
]