data_[K2In6Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0960]
_cell_length_b [13.2280]
_cell_length_c [18.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K(InTe)3]
_chemical_formula_sum '[K2 In6 Te6]'
_cell_volume [1753.7314]
_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  0.4060  0.0000  0.3984  1
  In  In1  4  0.4824  0.2591  0.4637  1
  In  In2  2  0.0823  0.0000  0.5576  1
  Te  Te3  4  0.2215  0.1833  0.5955  1
  Te  Te4  2  0.3966  0.5000  0.4255  1
]