data_[K8Ge4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1624]
_cell_length_b [5.6743]
_cell_length_c [11.2180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2GeSb2]
_chemical_formula_sum '[K8 Ge4 Sb8]'
_cell_volume [680.6952]
_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  0.0104  0.0000  0.6762  1.0
  K  K1  4  0.1747  0.0000  0.1003  1.0
  Ge  Ge2  4  0.2119  0.5000  0.3516  1.0
  Sb  Sb3  4  0.0214  0.5000  0.8818  1.0
  Sb  Sb4  4  0.1404  0.5000  0.5527  1.0
]