data_[Zr8Zn12Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.1726]
_cell_length_b [14.6114]
_cell_length_c [7.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Zr2Zn3Cu4]
_chemical_formula_sum '[Zr8 Zn12 Cu16]'
_cell_volume [551.6413]
_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
[
  Zr  Zr0  8  0.0000  0.1001  0.6013  1.0
  Zn  Zn1  8  0.2500  0.2365  0.2500  1.0
  Zn  Zn2  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  8  0.0000  0.1735  0.9855  1.0
  Cu  Cu4  8  0.2500  0.0676  0.2500  1.0
]