data_[Ba3Ga6As6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.4226]
_cell_length_b [5.4226]
_cell_length_c [25.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaGa2As2O7]
_chemical_formula_sum '[Ba3 Ga6 As6 O21]'
_cell_volume [650.0408]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  6  0.0000  0.0000  0.0698  1.0
  As  As2  6  0.0000  0.0000  0.2699  1.0
  O  O3  18  0.0176  0.4193  0.4332  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]