data_[Sr8La4Sn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3600]
_cell_length_b [18.5635]
_cell_length_c [13.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2LaSnSe5]
_chemical_formula_sum '[Sr8 La4 Sn4 Se20]'
_cell_volume [1070.6291]
_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  0.1118  0.6832  1.0
  Sr  Sr1  4  0.0000  0.1329  0.3079  1.0
  La  La2  4  0.0000  0.2134  0.0153  1.0
  Sn  Sn3  4  0.0000  0.4655  0.4523  1.0
  Se  Se4  4  0.0000  0.0494  0.0753  1.0
  Se  Se5  4  0.0000  0.2838  0.6699  1.0
  Se  Se6  4  0.0000  0.3206  0.3638  1.0
  Se  Se7  4  0.0000  0.3711  0.9984  1.0
  Se  Se8  4  0.0000  0.4911  0.7580  1.0
]