data_[Sr8Zn4Sb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1449]
_cell_length_b [18.6591]
_cell_length_c [12.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ZnSbSe5]
_chemical_formula_sum '[Sr8 Zn4 Sb4 Se20]'
_cell_volume [992.7461]
_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  0.0919  0.6657  1.0
  Sr  Sr1  4  0.0000  0.1211  0.3032  1.0
  Zn  Zn2  4  0.0000  0.4310  0.4425  1.0
  Sb  Sb3  4  0.0000  0.2264  0.0279  1.0
  Se  Se4  4  0.0000  0.0682  0.0503  1.0
  Se  Se5  4  0.0000  0.2634  0.6838  1.0
  Se  Se6  4  0.0000  0.2925  0.3770  1.0
  Se  Se7  4  0.0000  0.3685  0.9924  1.0
  Se  Se8  4  0.0000  0.4974  0.2811  1.0
]