data_[La12Nd8Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7457]
_cell_length_b [6.7457]
_cell_length_c [16.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La6Nd4Mg]
_chemical_formula_sum '[La12 Nd8 Mg2]'
_cell_volume [768.9041]
_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
[
  La  La0  8  0.1594  0.1594  0.3840  1
  La  La1  4  0.0000  0.5000  0.0000  1
  Nd  Nd2  8  0.1785  0.1785  0.1836  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
]