data_[Sr12Al12Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2829]
_cell_length_b [11.9420]
_cell_length_c [16.9804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Al3Zn2]
_chemical_formula_sum '[Sr12 Al12 Zn8]'
_cell_volume [868.4835]
_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
[
  Sr  Sr0  8  0.0000  0.0392  0.6060  1
  Sr  Sr1  4  0.0000  0.3365  0.7500  1
  Al  Al2  8  0.0000  0.3146  0.5326  1
  Al  Al3  4  0.0000  0.3735  0.2500  1
  Zn  Zn4  8  0.0000  0.2527  0.1151  1
]