data_[Zr8Al4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1221]
_cell_length_b [5.2678]
_cell_length_c [7.3534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2AlCu2]
_chemical_formula_sum '[Zr8 Al4 Cu8]'
_cell_volume [343.3348]
_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  0.1480  0.3661  0.1442  1.0
  Al  Al1  4  0.0000  0.1719  0.7500  1.0
  Cu  Cu2  8  0.1334  0.1310  0.4966  1.0
]