data_[Nd6Be3Zn36Cu9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9166]
_cell_length_b [5.9166]
_cell_length_c [31.5964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Be(Zn4Cu)3]
_chemical_formula_sum '[Nd6 Be3 Zn36 Cu9]'
_cell_volume [957.8814]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3580  1
  Be  Be1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0173  0.5087  0.6089  1
  Zn  Zn3  18  0.0403  0.5202  0.1144  1
  Cu  Cu4  9  0.0000  0.5000  0.5000  1
]