data_[K16Sb4As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3351]
_cell_length_b [5.9208]
_cell_length_c [8.2058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8Sb2As]
_chemical_formula_sum '[K16 Sb4 As2]'
_cell_volume [917.5241]
_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  4  0.0151  0.0000  0.7796  1.0
  K  K1  4  0.1051  0.5000  0.4212  1.0
  K  K2  4  0.1577  0.5000  0.9383  1.0
  K  K3  4  0.2064  0.0000  0.2770  1.0
  Sb  Sb4  4  0.1738  0.0000  0.6777  1.0
  As  As5  2  0.0000  0.5000  0.0000  1.0
]