data_[Zr8Al8Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4705]
_cell_length_b [5.6817]
_cell_length_c [7.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Al2Si]
_chemical_formula_sum '[Zr8 Al8 Si4]'
_cell_volume [359.9814]
_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  0.1596  0.3832  0.1353  1
  Al  Al1  8  0.1176  0.1264  0.4693  1
  Si  Si2  4  0.0000  0.2640  0.7500  1
]