data_[K2In6Ga4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  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 [21.4179]
_cell_length_b [4.9008]
_cell_length_c [9.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KIn3(GaI3)2]
_chemical_formula_sum '[K2 In6 Ga4 I12]'
_cell_volume [1005.5500]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  In  In1  4  0.1654  0.0000  0.8300  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  4  0.1692  0.0000  0.3361  1.0
  I  I4  4  0.0070  0.0000  0.2551  1.0
  I  I5  4  0.1702  0.5000  0.0967  1.0
  I  I6  4  0.1710  0.5000  0.5748  1.0
]