data_[K8Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2788]
_cell_length_b [9.1981]
_cell_length_c [7.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2SbTe3]
_chemical_formula_sum '[K8 Sb4 Te12]'
_cell_volume [1013.3574]
_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  8  0.1540  0.3358  0.1673  1.0
  Sb  Sb1  4  0.0000  0.0758  0.7500  1.0
  Te  Te2  8  0.1504  0.0360  0.5140  1.0
  Te  Te3  4  0.0000  0.3763  0.7500  1.0
]