data_[Cd12In4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0941]
_cell_length_b [7.3295]
_cell_length_c [10.8843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cd3InH2]
_chemical_formula_sum '[Cd12 In4 H8]'
_cell_volume [486.1645]
_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  8  0.2500  0.0000  0.2500  1
  Cd  Cd1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.5000  1
  H  H3  8  0.2500  0.2500  0.2500  1
]