data_[Li2Nd12Mg4]
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 [P2_1/c]
_cell_length_a [6.3173]
_cell_length_b [9.6848]
_cell_length_c [10.5390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(Nd3Mg)2]
_chemical_formula_sum '[Li2 Nd12 Mg4]'
_cell_volume [573.0925]
_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  0.5000  0.0000  0.5000  1
  Nd  Nd1  4  0.0800  0.5524  0.6945  1
  Nd  Nd2  4  0.1526  0.2050  0.5860  1
  Nd  Nd3  4  0.4330  0.6619  0.5356  1
  Mg  Mg4  4  0.3312  0.6036  0.2142  1
]