data_[La3Nd1Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.7564]
_cell_length_b [5.7564]
_cell_length_c [8.8241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La3NdZn8]
_chemical_formula_sum '[La3 Nd1 Zn8]'
_cell_volume [253.2190]
_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  1  0.0000  0.0000  0.9472  1
  La  La1  1  0.6667  0.3333  0.0492  1
  La  La2  1  0.6667  0.3333  0.4483  1
  Nd  Nd3  1  0.0000  0.0000  0.5548  1
  Zn  Zn4  3  0.0107  0.5054  0.7481  1
  Zn  Zn5  3  0.1690  0.3380  0.2519  1
  Zn  Zn6  1  0.3333  0.6667  0.0023  1
  Zn  Zn7  1  0.3333  0.6667  0.4984  1
]