data_[Li8Nd4Mg40]
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 [Fmmm]
_cell_length_a [5.6733]
_cell_length_b [14.4568]
_cell_length_c [14.6954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li2NdMg10]
_chemical_formula_sum '[Li8 Nd4 Mg40]'
_cell_volume [1205.2948]
_cell_formula_units_Z [4]
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  0.0000  0.2500  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  16  0.0000  0.1037  0.3899  1.0
  Mg  Mg3  16  0.0000  0.1722  0.1780  1.0
  Mg  Mg4  8  0.2500  0.2500  0.0000  1.0
]