data_[Sr8Al4Sb4Se20]
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
  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 [4.1306]
_cell_length_b [18.4836]
_cell_length_c [13.0959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlSbSe5]
_chemical_formula_sum '[Sr8 Al4 Sb4 Se20]'
_cell_volume [999.8484]
_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  0.1135  0.6835  1.0
  Sr  Sr1  4  0.0000  0.1248  0.3296  1.0
  Al  Al2  4  0.0000  0.4448  0.4243  1.0
  Sb  Sb3  4  0.0000  0.2056  0.0339  1.0
  Se  Se4  4  0.0000  0.0306  0.0237  1.0
  Se  Se5  4  0.0000  0.2858  0.6829  1.0
  Se  Se6  4  0.0000  0.3185  0.3724  1.0
  Se  Se7  4  0.0000  0.3499  0.0086  1.0
  Se  Se8  4  0.0000  0.4946  0.7652  1.0
]