data_[La4Nd12Mg4]
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 [C2/m]
_cell_length_a [11.7031]
_cell_length_b [5.3935]
_cell_length_c [10.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNd3Mg]
_chemical_formula_sum '[La4 Nd12 Mg4]'
_cell_volume [664.7989]
_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
[
  La  La0  4  0.1569  0.5000  0.5541  1.0
  Nd  Nd1  4  0.0320  0.0000  0.3365  1.0
  Nd  Nd2  4  0.0858  0.5000  0.8762  1.0
  Nd  Nd3  4  0.2279  0.5000  0.2235  1.0
  Mg  Mg4  4  0.1254  0.0000  0.0520  1.0
]