data_[Nd14Al4Tl4]
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 [Cmmm]
_cell_length_a [7.8506]
_cell_length_b [11.2366]
_cell_length_c [8.1667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd7(AlTl)2]
_chemical_formula_sum '[Nd14 Al4 Tl4]'
_cell_volume [720.4180]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.2987  1
  Nd  Nd1  4  0.0000  0.5000  0.2783  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.1652  0.0000  0.5000  1
  Tl  Tl4  4  0.0000  0.2956  0.0000  1
]