data_[K8Sr4Ga4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.9024]
_cell_length_b [20.6734]
_cell_length_c [16.5312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SrGaI5]
_chemical_formula_sum '[K8 Sr4 Ga4 I20]'
_cell_volume [1675.4338]
_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
[
  K  K0  4  0.0000  0.0786  0.6502  1.0
  K  K1  4  0.0000  0.1263  0.2998  1.0
  Sr  Sr2  4  0.0000  0.2350  0.0320  1.0
  Ga  Ga3  4  0.0000  0.4465  0.4472  1.0
  I  I4  4  0.0000  0.0808  0.0684  1.0
  I  I5  4  0.0000  0.2518  0.6694  1.0
  I  I6  4  0.0000  0.2891  0.4000  1.0
  I  I7  4  0.0000  0.3899  0.9911  1.0
  I  I8  4  0.0000  0.4981  0.7658  1.0
]