data_[Sr8Al4Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9308]
_cell_length_b [19.0238]
_cell_length_c [12.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2AlGaSe5]
_chemical_formula_sum '[Sr8 Al4 Ga4 Se20]'
_cell_volume [938.9066]
_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  0.1152  0.6767  1
  Sr  Sr1  4  0.0000  0.1222  0.2994  1
  Al  Al2  4  0.0000  0.2260  0.0230  1
  Ga  Ga3  4  0.0000  0.4363  0.4474  1
  Se  Se4  4  0.0000  0.0429  0.0589  1
  Se  Se5  4  0.0000  0.2823  0.6591  1
  Se  Se6  4  0.0000  0.3116  0.3891  1
  Se  Se7  4  0.0000  0.3512  0.9915  1
  Se  Se8  4  0.0000  0.4948  0.2789  1
]