data_[Ba12Ga4H2O2]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7033]
_cell_length_b [7.9903]
_cell_length_c [13.5074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ga2HO]
_chemical_formula_sum '[Ba12 Ga4 H2 O2]'
_cell_volume [684.3556]
_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  0.1457  0.0184  0.7412  1.0
  Ba  Ba1  4  0.2449  0.7169  0.5473  1.0
  Ba  Ba2  4  0.3341  0.2017  0.5492  1.0
  Ga  Ga3  4  0.2718  0.0555  0.2492  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]