data_[Ba8Cd4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6165]
_cell_length_b [8.1538]
_cell_length_c [10.0544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Cd2H]
_chemical_formula_sum '[Ba8 Cd4 H2]'
_cell_volume [591.2343]
_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  0.4853  0.0070  0.7229  1.0
  Ba  Ba1  2  0.0631  0.7500  0.3602  1.0
  Ba  Ba2  2  0.1140  0.7500  0.9335  1.0
  Cd  Cd3  2  0.2239  0.2500  0.4130  1.0
  Cd  Cd4  2  0.3222  0.2500  0.9713  1.0
  H  H5  2  0.2821  0.7500  0.2054  1.0
]