data_[K8Sb4Te16As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.0747]
_cell_length_b [9.3485]
_cell_length_c [13.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2SbTe4As]
_chemical_formula_sum '[K8 Sb4 Te16 As4]'
_cell_volume [1105.2949]
_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  0.0000  0.5000  1
  K  K1  4  0.2500  0.2500  0.2500  1
  Sb  Sb2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.0408  0.7604  1
  Te  Te4  8  0.2282  0.2500  0.9786  1
  As  As5  4  0.2500  0.2500  0.7500  1
]