data_[Nd6Mg8Tl4]
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 [11.4037]
_cell_length_b [5.1206]
_cell_length_c [9.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Mg2Tl)2]
_chemical_formula_sum '[Nd6 Mg8 Tl4]'
_cell_volume [492.0667]
_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  0.1624  0.5000  0.6722  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0751  0.0000  0.4057  1
  Mg  Mg3  4  0.2120  0.5000  0.0463  1
  Tl  Tl4  4  0.1108  0.5000  0.2751  1
]