data_[Sr1Al4Zn6]
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 [P-6m2]
_cell_length_a [7.3689]
_cell_length_b [7.3689]
_cell_length_c [4.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sr(Al2Zn3)2]
_chemical_formula_sum '[Sr1 Al4 Zn6]'
_cell_volume [205.2844]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Al  Al1  3  0.4145  0.2072  0.5000  1.0
  Al  Al2  1  0.3333  0.6667  0.0000  1.0
  Zn  Zn3  3  0.2056  0.4111  0.5000  1.0
  Zn  Zn4  3  0.5385  0.0771  0.0000  1.0
]