data_[Nd8Mg12Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6704]
_cell_length_b [16.8388]
_cell_length_c [8.5743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd2Mg3Tl4]
_chemical_formula_sum '[Nd8 Mg12 Tl16]'
_cell_volume [963.0802]
_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  0.1053  0.5910  1.0
  Mg  Mg1  8  0.2500  0.2257  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0000  0.1770  0.9682  1.0
  Tl  Tl4  8  0.2500  0.0520  0.2500  1.0
]