data_[K4Li16Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.1965]
_cell_length_b [9.1965]
_cell_length_c [12.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [KLi4Ga9]
_chemical_formula_sum '[K4 Li16 Ga36]'
_cell_volume [1061.9256]
_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  0.0000  0.2500  1
  Li  Li1  16  0.1831  0.3169  0.1198  1
  Ga  Ga2  16  0.0489  0.1984  0.5000  1
  Ga  Ga3  16  0.1170  0.3830  0.3244  1
  Ga  Ga4  4  0.0000  0.5000  0.0000  1
]