data_[Nd2Zn5Cu5]
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 [Pmmm]
_cell_length_a [4.0509]
_cell_length_b [5.3148]
_cell_length_c [9.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Nd2(ZnCu)5]
_chemical_formula_sum '[Nd2 Zn5 Cu5]'
_cell_volume [201.2434]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Nd  Nd1  1  0.0000  0.5000  0.0000  1
  Zn  Zn2  2  0.0000  0.0000  0.1743  1
  Zn  Zn3  2  0.0000  0.5000  0.3336  1
  Zn  Zn4  1  0.5000  0.0000  0.0000  1
  Cu  Cu5  4  0.5000  0.2527  0.2516  1
  Cu  Cu6  1  0.5000  0.5000  0.5000  1
]