data_[La6Nd8Mg2]
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 [Pmn2_1]
_cell_length_a [11.7679]
_cell_length_b [7.3462]
_cell_length_c [6.4090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Nd4Mg]
_chemical_formula_sum '[La6 Nd8 Mg2]'
_cell_volume [554.0519]
_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  4  0.2410  0.8787  0.1486  1
  La  La1  2  0.0000  0.8734  0.4953  1
  Nd  Nd2  4  0.2411  0.3694  0.1452  1
  Nd  Nd3  2  0.0000  0.3712  0.4875  1
  Nd  Nd4  2  0.0000  0.6119  0.9622  1
  Mg  Mg5  2  0.0000  0.1242  0.9825  1
]