data_[Ba12Ga4O4]
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 [C2/m]
_cell_length_a [17.1483]
_cell_length_b [4.0323]
_cell_length_c [10.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3GaO]
_chemical_formula_sum '[Ba12 Ga4 O4]'
_cell_volume [726.3150]
_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  0.0294  0.0000  0.3053  1.0
  Ba  Ba1  4  0.1510  0.5000  0.9895  1.0
  Ba  Ba2  4  0.2394  0.0000  0.6882  1.0
  Ga  Ga3  4  0.0918  0.5000  0.5512  1.0
  O  O4  4  0.2208  0.0000  0.1252  1.0
]