data_[Nd24Tl4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4430]
_cell_length_b [10.2521]
_cell_length_c [10.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6TlNi2]
_chemical_formula_sum '[Nd24 Tl4 Ni8]'
_cell_volume [1018.6192]
_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  0.2039  0.2284  1.0
  Nd  Nd1  8  0.1905  0.5000  0.1779  1.0
  Nd  Nd2  8  0.2046  0.3170  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  4  0.0000  0.3625  0.0000  1.0
  Ni  Ni6  4  0.0000  0.5000  0.3804  1.0
]