data_[Sr6Al18Zn4]
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 [Immm]
_cell_length_a [4.5254]
_cell_length_b [10.2704]
_cell_length_c [13.0303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Al9Zn2]
_chemical_formula_sum '[Sr6 Al18 Zn4]'
_cell_volume [605.6228]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.3090  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.2776  0.1379  1.0
  Al  Al3  8  0.0000  0.3655  0.3407  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn5  4  0.0000  0.2034  0.5000  1.0
]