data_[Ba12Ga2H4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9147]
_cell_length_b [5.6442]
_cell_length_c [11.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6GaH2]
_chemical_formula_sum '[Ba12 Ga2 H4]'
_cell_volume [742.4474]
_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  0.0190  0.0000  0.8292  1.0
  Ba  Ba1  4  0.1416  0.5000  0.5270  1.0
  Ba  Ba2  4  0.2106  0.5000  0.1640  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5000  1.0
  H  H4  4  0.1603  0.0000  0.1592  1.0
]