data_[Sr2Al6Zn12]
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 [P2_1/c]
_cell_length_a [7.0215]
_cell_length_b [6.9638]
_cell_length_c [8.8145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr(AlZn2)3]
_chemical_formula_sum '[Sr2 Al6 Zn12]'
_cell_volume [364.9285]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.2787  0.6417  0.9397  1
  Al  Al2  2  0.5000  0.0000  0.0000  1
  Zn  Zn3  4  0.1306  0.5416  0.1724  1
  Zn  Zn4  4  0.2282  0.2163  0.3629  1
  Zn  Zn5  4  0.4862  0.2227  0.7222  1
]