data_[Sr8Sb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [18.6901]
_cell_length_b [7.7993]
_cell_length_c [8.0114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Sr2Sb2Se5]
_chemical_formula_sum '[Sr8 Sb8 Se20]'
_cell_volume [1167.8268]
_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  8  0.1101  0.0034  0.5258  1.0
  Sb  Sb1  4  0.0000  0.0000  0.0013  1.0
  Sb  Sb2  4  0.2500  0.5104  0.5731  1.0
  Se  Se3  8  0.0285  0.7305  0.7368  1.0
  Se  Se4  8  0.1443  0.1267  0.8982  1.0
  Se  Se5  4  0.2500  0.6868  0.9401  1.0
]