data_[K4Ga8Sb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0140]
_cell_length_b [14.1258]
_cell_length_c [7.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KGa2SbS6]
_chemical_formula_sum '[K4 Ga8 Sb4 S24]'
_cell_volume [1157.6096]
_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  0.3743  0.2500  1.0
  Ga  Ga1  8  0.2426  0.4272  0.8687  1.0
  Sb  Sb2  4  0.0000  0.2111  0.7500  1.0
  S  S3  8  0.0733  0.1152  0.0630  1.0
  S  S4  8  0.1512  0.2831  0.6983  1.0
  S  S5  8  0.1775  0.4579  0.1115  1.0
]