data_[Nd24Tl10Ni4]
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 [C2/m]
_cell_length_a [19.2427]
_cell_length_b [7.3441]
_cell_length_c [9.3434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd12Tl5Ni2]
_chemical_formula_sum '[Nd24 Tl10 Ni4]'
_cell_volume [1180.2562]
_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  0.1527  0.2490  0.6604  1
  Nd  Nd1  8  0.1538  0.2606  0.1642  1
  Nd  Nd2  4  0.0004  0.5000  0.7287  1
  Nd  Nd3  4  0.0177  0.0000  0.8408  1
  Tl  Tl4  4  0.2472  0.0000  0.0024  1
  Tl  Tl5  4  0.2479  0.5000  0.5032  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  Ni  Ni7  4  0.0000  0.3339  0.0000  1
]