data_[Ba8In4Ga4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4671]
_cell_length_b [15.3447]
_cell_length_c [11.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2InGaO5]
_chemical_formula_sum '[Ba8 In4 Ga4 O20]'
_cell_volume [598.7879]
_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
[
  Ba  Ba0  4  0.0000  0.1106  0.6750  1.0
  Ba  Ba1  4  0.0000  0.1340  0.3170  1.0
  In  In2  4  0.0000  0.2112  0.0274  1.0
  Ga  Ga3  4  0.0000  0.4421  0.4375  1.0
  O  O4  4  0.0000  0.0525  0.0186  1.0
  O  O5  4  0.0000  0.2905  0.6524  1.0
  O  O6  4  0.0000  0.3208  0.3977  1.0
  O  O7  4  0.0000  0.3484  0.0029  1.0
  O  O8  4  0.0000  0.4996  0.2954  1.0
]