data_[Cs4K4Ga4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2797]
_cell_length_b [5.9835]
_cell_length_c [9.9276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKGaI3]
_chemical_formula_sum '[Cs4 K4 Ga4 I12]'
_cell_volume [1164.0213]
_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  0.1476  0.5000  0.0726  1.0
  K  K1  4  0.1536  0.5000  0.5704  1.0
  Ga  Ga2  4  0.0043  0.0000  0.3515  1.0
  I  I3  4  0.0025  0.5000  0.2656  1.0
  I  I4  4  0.1537  0.0000  0.8033  1.0
  I  I5  4  0.1646  0.0000  0.3427  1.0
]