data_[K6Al6Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5090]
_cell_length_b [11.4527]
_cell_length_c [12.8069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Al3Ga8]
_chemical_formula_sum '[K6 Al6 Ga16]'
_cell_volume [661.3559]
_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  0.0000  0.0000  0.2289  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.1531  0.0000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  8  0.0000  0.3012  0.3735  1.0
  Ga  Ga5  8  0.0000  0.3185  0.1585  1.0
]