data_[Nd3Zn2Cd3]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7196]
_cell_length_b [7.7196]
_cell_length_c [4.0057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Nd3Zn2Cd3]
_chemical_formula_sum '[Nd3 Zn2 Cd3]'
_cell_volume [206.7311]
_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
[
  Nd  Nd0  3  0.0000  0.5973  0.5000  1
  Zn  Zn1  2  0.3333  0.6667  0.0000  1
  Cd  Cd2  3  0.0000  0.2335  0.0000  1
]