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 [11.7680]
_cell_length_b [7.3768]
_cell_length_c [6.3765]
_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 [553.5460]
_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  0.2415  0.1217  0.8511  1.0
  La  La1  2  0.0000  0.1270  0.5039  1.0
  Nd  Nd2  4  0.2410  0.6304  0.8553  1.0
  Nd  Nd3  2  0.0000  0.3886  0.0375  1.0
  Nd  Nd4  2  0.0000  0.6281  0.5130  1.0
  Mg  Mg5  2  0.0000  0.8752  0.0175  1.0
]