data_[K4In8Te16]
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 [Cccm]
_cell_length_a [7.4200]
_cell_length_b [12.1539]
_cell_length_c [12.2510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [K(InTe2)2]
_chemical_formula_sum '[K4 In8 Te16]'
_cell_volume [1104.8160]
_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
[
  K  K0  4  0.0000  0.5000  0.2500  1.0
  In  In1  8  0.0004  0.2440  0.0000  1.0
  Te  Te2  8  0.2413  0.4274  0.0000  1.0
  Te  Te3  8  0.2500  0.2500  0.3239  1.0
]