data_[Nd6Zn4Cu8]
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 [C2/m]
_cell_length_a [10.1877]
_cell_length_b [4.2703]
_cell_length_c [8.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(ZnCu2)2]
_chemical_formula_sum '[Nd6 Zn4 Cu8]'
_cell_volume [362.3033]
_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  0.1248  0.5000  0.3782  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1808  0.5000  0.7746  1.0
  Cu  Cu3  4  0.0827  0.0000  0.6383  1.0
  Cu  Cu4  4  0.2311  0.5000  0.0784  1.0
]