data_[Nd12Zn4Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3422]
_cell_length_b [9.5089]
_cell_length_c [9.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Zn2Ni]
_chemical_formula_sum '[Nd12 Zn4 Ni2]'
_cell_volume [513.9978]
_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  4  0.1034  0.5281  0.7148  1.0
  Nd  Nd1  4  0.1438  0.1795  0.5456  1.0
  Nd  Nd2  4  0.4246  0.6827  0.5169  1.0
  Zn  Zn3  4  0.3860  0.5890  0.2185  1.0
  Ni  Ni4  2  0.5000  0.0000  0.5000  1.0
]