data_[Cd12As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9073]
_cell_length_b [4.8503]
_cell_length_c [10.2104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3AsH]
_chemical_formula_sum '[Cd12 As4 H4]'
_cell_volume [440.2643]
_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  0.1077  0.0313  0.3528  1
  Cd  Cd1  4  0.3219  0.6736  0.5671  1
  Cd  Cd2  4  0.4069  0.0442  0.7860  1
  As  As3  4  0.1628  0.2057  0.6254  1
  H  H4  4  0.2799  0.7446  0.8839  1
]