data_[Zr8Al16Cu4]
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 [Cmcm]
_cell_length_a [6.7907]
_cell_length_b [17.9053]
_cell_length_c [3.9929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr2Al4Cu]
_chemical_formula_sum '[Zr8 Al16 Cu4]'
_cell_volume [485.4969]
_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  4  0.0000  0.0742  0.2500  1.0
  Zr  Zr1  4  0.0000  0.3555  0.7500  1.0
  Al  Al2  8  0.1924  0.1893  0.7500  1.0
  Al  Al3  8  0.1996  0.4537  0.2500  1.0
  Cu  Cu4  4  0.0000  0.2353  0.2500  1.0
]