data_[K12Al4Te12]
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 [C2/m]
_cell_length_a [9.5252]
_cell_length_b [14.5463]
_cell_length_c [8.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3AlTe3]
_chemical_formula_sum '[K12 Al4 Te12]'
_cell_volume [1145.4373]
_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  0.1759  0.5000  1.0
  K  K1  4  0.0000  0.2396  0.0000  1.0
  K  K2  4  0.1040  0.5000  0.3571  1.0
  Al  Al3  4  0.1702  0.0000  0.1500  1.0
  Te  Te4  8  0.2022  0.3517  0.7232  1.0
  Te  Te5  4  0.1076  0.0000  0.8231  1.0
]