data_[Sr8Ga4Sb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  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 [4.1386]
_cell_length_b [18.7270]
_cell_length_c [12.9040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GaSbSe5]
_chemical_formula_sum '[Sr8 Ga4 Sb4 Se20]'
_cell_volume [1000.1001]
_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  0.1132  0.6829  1.0
  Sr  Sr1  4  0.0000  0.1245  0.3202  1.0
  Ga  Ga2  4  0.0000  0.4412  0.4327  1.0
  Sb  Sb3  4  0.0000  0.2101  0.0282  1.0
  Se  Se4  4  0.0000  0.0396  0.0397  1.0
  Se  Se5  4  0.0000  0.2837  0.6793  1.0
  Se  Se6  4  0.0000  0.3166  0.3669  1.0
  Se  Se7  4  0.0000  0.3530  0.0039  1.0
  Se  Se8  4  0.0000  0.4965  0.7702  1.0
]