data_[Ba16Ga2H4]
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 [16.0635]
_cell_length_b [9.1795]
_cell_length_c [7.4664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8GaH2]
_chemical_formula_sum '[Ba16 Ga2 H4]'
_cell_volume [1096.4119]
_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  8  0.0978  0.2282  0.7461  1.0
  Ba  Ba1  4  0.1599  0.5000  0.2462  1.0
  Ba  Ba2  4  0.1752  0.0000  0.2765  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.1791  0.0000  0.6366  1.0
]