data_[Zr12Cd4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0290]
_cell_length_b [5.6230]
_cell_length_c [10.4794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr3CdH]
_chemical_formula_sum '[Zr12 Cd4 H4]'
_cell_volume [371.5194]
_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
[
  Zr  Zr0  4  0.0704  0.5729  0.2991  1
  Zr  Zr1  4  0.3407  0.6932  0.6848  1
  Zr  Zr2  4  0.4092  0.2385  0.4439  1
  Cd  Cd3  4  0.1485  0.2010  0.5665  1
  H  H4  4  0.2594  0.6114  0.8368  1
]