data_[K8Ga8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.5987]
_cell_length_b [6.7709]
_cell_length_c [12.7726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [KGa]
_chemical_formula_sum '[K8 Ga8]'
_cell_volume [570.6739]
_cell_formula_units_Z [8]
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  0.0978  0.8625  0.8332  1.0
  K  K1  4  0.0981  0.4282  0.0142  1.0
  Ga  Ga2  4  0.0873  0.6737  0.2682  1.0
  Ga  Ga3  4  0.1037  0.9291  0.1235  1.0
]