data_[K2Sb2Te4]
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 [Cm]
_cell_length_a [14.0798]
_cell_length_b [4.3926]
_cell_length_c [5.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KSbTe2]
_chemical_formula_sum '[K2 Sb2 Te4]'
_cell_volume [328.9207]
_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  2  0.0028  0.5000  0.6396  1.0
  Sb  Sb1  2  0.2816  0.5000  0.0477  1.0
  Te  Te2  2  0.2398  0.0000  0.6824  1.0
  Te  Te3  2  0.4759  0.5000  0.1303  1.0
]