data_[La3Tb7Nd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.1474]
_cell_length_b [7.1474]
_cell_length_c [8.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La3Tb7Nd]
_chemical_formula_sum '[La3 Tb7 Nd1]'
_cell_volume [391.2546]
_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
[
  Tb  Tb0  3  0.0015  0.5007  0.5565  1
  La  La1  3  0.1671  0.3341  0.2160  1
  Tb  Tb2  3  0.3326  0.1663  0.8783  1
  Tb  Tb3  1  0.3333  0.6667  0.8756  1
  Nd  Nd4  1  0.0000  0.0000  0.5570  1
]