data_[K6Al2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [21.2668]
_cell_length_b [8.5477]
_cell_length_c [7.2940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K3AlTe3]
_chemical_formula_sum '[K6 Al2 Te6]'
_cell_volume [1325.9373]
_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  4  0.3527  0.2237  0.5227  1
  K  K1  2  0.5000  0.0331  0.2848  1
  Al  Al2  2  0.5000  0.3514  0.9417  1
  Te  Te3  4  0.3902  0.2134  0.0164  1
  Te  Te4  2  0.5000  0.3609  0.5726  1
]