data_[La3Nd7Mg1]
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 [P3m1]
_cell_length_a [7.2151]
_cell_length_b [7.2151]
_cell_length_c [8.8935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La3Nd7Mg]
_chemical_formula_sum '[La3 Nd7 Mg1]'
_cell_volume [400.9439]
_cell_formula_units_Z [1]
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  3  0.5008  0.0016  0.7830  1
  Nd  Nd1  3  0.1669  0.3339  0.1228  1
  Nd  Nd2  3  0.3371  0.1686  0.4463  1
  Nd  Nd3  1  0.6667  0.3333  0.1152  1
  Mg  Mg4  1  0.3333  0.6667  0.4437  1
]