data_[Nd12Zn12Cu8]
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 [Cmcm]
_cell_length_a [4.5056]
_cell_length_b [10.1394]
_cell_length_c [15.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Zn3Cu2]
_chemical_formula_sum '[Nd12 Zn12 Cu8]'
_cell_volume [691.2935]
_cell_formula_units_Z [4]
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  8  0.0000  0.0983  0.6049  1.0
  Nd  Nd1  4  0.0000  0.3872  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3831  0.5393  1.0
  Zn  Zn3  4  0.0000  0.3147  0.2500  1.0
  Cu  Cu4  8  0.0000  0.1995  0.0987  1.0
]