data_[Li12Nd2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5004]
_cell_length_b [10.0518]
_cell_length_c [10.2921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6NdMg6]
_chemical_formula_sum '[Li12 Nd2 Mg12]'
_cell_volume [569.0478]
_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
[
  Li  Li0  8  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.5000  0.2771  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  4  0.0000  0.0000  0.3515  1.0
  Mg  Mg4  4  0.0000  0.2982  0.5000  1.0
  Mg  Mg5  4  0.0000  0.3493  0.0000  1.0
]