data_[Nd8Mg2Tl2]
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 [Pmmn]
_cell_length_a [5.3977]
_cell_length_b [7.0081]
_cell_length_c [9.9855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd4MgTl]
_chemical_formula_sum '[Nd8 Mg2 Tl2]'
_cell_volume [377.7270]
_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  0.0000  0.2572  0.7403  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0672  1.0
  Nd  Nd2  2  0.0000  0.5000  0.4223  1.0
  Mg  Mg3  2  0.0000  0.0000  0.4091  1.0
  Tl  Tl4  2  0.0000  0.0000  0.1071  1.0
]