data_[K12Ga4Sb8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.6483]
_cell_length_b [4.6995]
_cell_length_c [14.7243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K3GaSb2]
_chemical_formula_sum '[K12 Ga4 Sb8]'
_cell_volume [944.4155]
_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  0.0675  0.2500  0.6135  1
  K  K1  4  0.1202  0.7500  0.0588  1
  K  K2  4  0.1792  0.2500  0.2987  1
  Ga  Ga3  4  0.1435  0.2500  0.8732  1
  Sb  Sb4  4  0.0544  0.7500  0.8166  1
  Sb  Sb5  4  0.1998  0.7500  0.4760  1
]