data_[Ba12Cd4H4]
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 [Cmcm]
_cell_length_a [4.6550]
_cell_length_b [15.4597]
_cell_length_c [11.4713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3CdH]
_chemical_formula_sum '[Ba12 Cd4 H4]'
_cell_volume [825.5202]
_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  8  0.0000  0.3576  0.5721  1.0
  Ba  Ba1  4  0.0000  0.0507  0.7500  1.0
  Cd  Cd2  4  0.0000  0.2595  0.2500  1.0
  H  H3  4  0.0000  0.4685  0.7500  1.0
]