data_[Tb6Nd6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.6198]
_cell_length_b [9.6198]
_cell_length_c [5.6791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tb3Nd3Mg]
_chemical_formula_sum '[Tb6 Nd6 Mg2]'
_cell_volume [455.1415]
_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
[
  Tb  Tb0  6  0.0529  0.2359  0.2500  1.0
  Nd  Nd1  6  0.1013  0.4722  0.7500  1.0
  Mg  Mg2  2  0.3333  0.6667  0.2500  1.0
]