data_[K6In6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3178]
_cell_length_b [4.4019]
_cell_length_c [8.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KIn]
_chemical_formula_sum '[K6 In6]'
_cell_volume [469.8324]
_cell_formula_units_Z [6]
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  0.2855  0.0000  0.6249  1.0
  K  K1  2  0.3140  0.0000  0.0749  1.0
  K  K2  2  0.4920  0.5000  0.4520  1.0
  In  In3  2  0.0088  0.0000  0.9762  1.0
  In  In4  2  0.0978  0.5000  0.8152  1.0
  In  In5  2  0.1351  0.5000  0.2234  1.0
]