data_[Sr4Al4Zn8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.7664]
_cell_length_b [9.9649]
_cell_length_c [8.3062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SrAl(ZnSe2)2]
_chemical_formula_sum '[Sr4 Al4 Zn8 Se16]'
_cell_volume [808.3705]
_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  4  0.0000  0.0000  0.0031  1
  Al  Al1  4  0.0000  0.0000  0.5021  1
  Zn  Zn2  8  0.2500  0.2500  0.2369  1
  Se  Se3  8  0.0000  0.2025  0.3431  1
  Se  Se4  8  0.2046  0.0000  0.6673  1
]