data_[K6Ga6H6]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7448]
_cell_length_b [4.7448]
_cell_length_c [20.3516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KGaH]
_chemical_formula_sum '[K6 Ga6 H6]'
_cell_volume [396.7973]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.2885  1.0
  K  K1  3  0.0000  0.0000  0.7343  1.0
  Ga  Ga2  3  0.0000  0.0000  0.5231  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8806  1.0
  H  H4  3  0.0000  0.0000  0.4366  1.0
  H  H5  3  0.0000  0.0000  0.9681  1.0
]