data_[Zr2Al12Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2154]
_cell_length_b [4.6067]
_cell_length_c [5.2491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(Al3Zn)2]
_chemical_formula_sum '[Zr2 Al12 Zn4]'
_cell_volume [305.7208]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Al  Al1  4  0.1266  0.5000  0.0900  1
  Al  Al2  4  0.1452  0.0000  0.7927  1
  Al  Al3  4  0.2271  0.5000  0.6612  1
  Zn  Zn4  4  0.0671  0.0000  0.2512  1
]