data_[K6Ga6B6O21]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [8.6796]
_cell_length_b [8.6796]
_cell_length_c [8.8657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [150]
_chemical_formula_structural [K2Ga2B2O7]
_chemical_formula_sum '[K6 Ga6 B6 O21]'
_cell_volume [578.4191]
_cell_formula_units_Z [3]
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  0.6439  0.5000  1
  K  K1  3  0.0000  0.6842  0.0000  1
  Ga  Ga2  2  0.0000  0.0000  0.2964  1
  Ga  Ga3  2  0.3333  0.6667  0.2271  1
  Ga  Ga4  2  0.3333  0.6667  0.8169  1
  B  B5  6  0.0004  0.3354  0.2570  1
  O  O6  6  0.0714  0.2280  0.7768  1
  O  O7  6  0.1030  0.5185  0.7480  1
  O  O8  6  0.1780  0.4380  0.2981  1
  O  O9  2  0.3333  0.6667  0.0221  1
  O  O10  1  0.0000  0.0000  0.5000  1
]