data_[Nd6Zn4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2973]
_cell_length_b [5.2973]
_cell_length_c [13.1435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd3Zn2Sn]
_chemical_formula_sum '[Nd6 Zn4 Sn2]'
_cell_volume [319.4163]
_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  0.2410  1
  Nd  Nd1  2  0.3333  0.6667  0.4146  1
  Nd  Nd2  2  0.3333  0.6667  0.9233  1
  Zn  Zn3  2  0.3333  0.6667  0.1572  1
  Zn  Zn4  1  0.0000  0.0000  0.0000  1
  Zn  Zn5  1  0.0000  0.0000  0.5000  1
  Sn  Sn6  2  0.3333  0.6667  0.6680  1
]