data_[Nd16Mg4Tl2]
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 [C2/m]
_cell_length_a [17.7583]
_cell_length_b [5.0580]
_cell_length_c [8.2210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Mg2Tl]
_chemical_formula_sum '[Nd16 Mg4 Tl2]'
_cell_volume [697.4818]
_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  4  0.0542  0.0000  0.7250  1.0
  Nd  Nd1  4  0.0916  0.5000  0.4451  1.0
  Nd  Nd2  4  0.1370  0.0000  0.1918  1.0
  Nd  Nd3  4  0.1797  0.5000  0.9335  1.0
  Mg  Mg4  4  0.2271  0.0000  0.6323  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]