data_[K16Sr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [13.7161]
_cell_length_b [13.7161]
_cell_length_c [6.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [K8SrTe6]
_chemical_formula_sum '[K16 Sr2 Te12]'
_cell_volume [1178.2633]
_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  16  0.0878  0.2793  0.2389  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  8  0.1511  0.1511  0.7305  1.0
  Te  Te3  4  0.0000  0.5000  0.0000  1.0
]