data_[Cd4Ni4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1630]
_cell_length_b [4.1352]
_cell_length_c [6.0520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdNiH3]
_chemical_formula_sum '[Cd4 Ni4 H12]'
_cell_volume [200.2147]
_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
[
  Cd  Cd0  4  0.3745  0.6284  0.2744  1.0
  Ni  Ni1  4  0.0616  0.7420  0.4171  1.0
  H  H2  4  0.0617  0.5670  0.1674  1.0
  H  H3  4  0.1134  0.0823  0.0558  1.0
  H  H4  4  0.2412  0.5886  0.9368  1.0
]