data_[Nd12Zn4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3922]
_cell_length_b [9.4117]
_cell_length_c [9.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Zn2Cu]
_chemical_formula_sum '[Nd12 Zn4 Cu2]'
_cell_volume [510.9925]
_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  0.0928  0.5293  0.7104  1.0
  Nd  Nd1  4  0.1468  0.1856  0.5477  1.0
  Nd  Nd2  4  0.4168  0.6770  0.5176  1.0
  Zn  Zn3  4  0.3737  0.5866  0.2123  1.0
  Cu  Cu4  2  0.5000  0.0000  0.5000  1.0
]