data_[K12In4Te12]
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 [C2/m]
_cell_length_a [9.7179]
_cell_length_b [14.8835]
_cell_length_c [8.5210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3InTe3]
_chemical_formula_sum '[K12 In4 Te12]'
_cell_volume [1214.5428]
_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  0.1730  0.5000  1.0
  K  K1  4  0.0000  0.2332  0.0000  1.0
  K  K2  4  0.1007  0.5000  0.3565  1.0
  In  In3  4  0.1825  0.0000  0.1480  1.0
  Te  Te4  8  0.1922  0.3445  0.7188  1.0
  Te  Te5  4  0.1066  0.0000  0.8060  1.0
]