data_[K2Rb6In4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.5284]
_cell_length_b [5.1739]
_cell_length_c [10.3438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3(InI3)2]
_chemical_formula_sum '[K2 Rb6 In4 I12]'
_cell_volume [1174.1587]
_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
[
  Rb  Rb0  4  0.1674  0.0000  0.8306  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.1664  0.0000  0.3321  1.0
  I  I4  4  0.0031  0.0000  0.2443  1.0
  I  I5  4  0.1639  0.5000  0.0896  1.0
  I  I6  4  0.1701  0.5000  0.5729  1.0
]