data_[Nd6Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6861]
_cell_length_b [3.6861]
_cell_length_c [19.9623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd3Zn2]
_chemical_formula_sum '[Nd6 Zn4]'
_cell_volume [271.2291]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.1321  1
  Nd  Nd1  2  0.0000  0.0000  0.3163  1
  Nd  Nd2  1  0.0000  0.0000  0.5000  1
  Nd  Nd3  1  0.5000  0.5000  0.0000  1
  Zn  Zn4  2  0.5000  0.5000  0.2230  1
  Zn  Zn5  2  0.5000  0.5000  0.4075  1
]