data_[Ba8Ga2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8859]
_cell_length_b [7.7837]
_cell_length_c [5.9188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ba4GaO]
_chemical_formula_sum '[Ba8 Ga2 O2]'
_cell_volume [501.5168]
_cell_formula_units_Z [2]
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  0.1886  0.1878  0.3881  1.0
  Ba  Ba1  2  0.0000  0.3874  0.8789  1.0
  Ba  Ba2  2  0.0000  0.7125  0.3933  1.0
  Ga  Ga3  2  0.0000  0.9654  0.8942  1.0
  O  O4  2  0.0000  0.3865  0.4292  1.0
]