data_[Cs8Sr4Ga4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0910]
_cell_length_b [21.8957]
_cell_length_c [16.8997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2SrGaI5]
_chemical_formula_sum '[Cs8 Sr4 Ga4 I20]'
_cell_volume [1883.8157]
_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
[
  Cs  Cs0  4  0.0000  0.0916  0.6582  1.0
  Cs  Cs1  4  0.0000  0.1326  0.3024  1.0
  Sr  Sr2  4  0.0000  0.2180  0.0255  1.0
  Ga  Ga3  4  0.0000  0.4534  0.4517  1.0
  I  I4  4  0.0000  0.0725  0.0657  1.0
  I  I5  4  0.0000  0.2686  0.6570  1.0
  I  I6  4  0.0000  0.3104  0.4001  1.0
  I  I7  4  0.0000  0.3644  0.9877  1.0
  I  I8  4  0.0000  0.4996  0.7757  1.0
]