data_[Al16Zn4Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1331]
_cell_length_b [3.9166]
_cell_length_c [6.4349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8Zn2Cr]
_chemical_formula_sum '[Al16 Zn4 Cr2]'
_cell_volume [347.4314]
_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
[
  Al  Al0  4  0.0429  0.0000  0.7279  1.0
  Al  Al1  4  0.0904  0.5000  0.4255  1.0
  Al  Al2  4  0.1333  0.0000  0.1608  1.0
  Al  Al3  4  0.1790  0.5000  0.8976  1.0
  Zn  Zn4  4  0.2174  0.0000  0.6111  1.0
  Cr  Cr5  2  0.0000  0.5000  0.0000  1.0
]