data_[Li2Nd2Mg22]
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 [C2/m]
_cell_length_a [5.8342]
_cell_length_b [14.5081]
_cell_length_c [7.7921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNdMg11]
_chemical_formula_sum '[Li2 Nd2 Mg22]'
_cell_volume [615.0642]
_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  2  0.0000  0.5000  0.5000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.1005  0.3948  0.2159  1
  Mg  Mg3  8  0.1780  0.1744  0.3536  1
  Mg  Mg4  4  0.2500  0.2500  0.0000  1
  Mg  Mg5  2  0.0000  0.0000  0.5000  1
]