data_[La6Nd4Zn4]
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 [C2/m]
_cell_length_a [13.0201]
_cell_length_b [3.8720]
_cell_length_c [9.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(NdZn)2]
_chemical_formula_sum '[La6 Nd4 Zn4]'
_cell_volume [438.4376]
_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  0.1072  0.5000  0.4377  1.0
  La  La1  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd2  4  0.1582  0.0000  0.8218  1.0
  Zn  Zn3  4  0.1758  0.0000  0.2317  1.0
]