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 [C2/m]
_cell_length_a [10.5928]
_cell_length_b [4.3279]
_cell_length_c [9.0342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3CdH]
_chemical_formula_sum '[Zr12 Cd4 H4]'
_cell_volume [369.3366]
_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  0.1203  0.5000  0.9355  1.0
  Zr  Zr1  4  0.1253  0.0000  0.6850  1.0
  Zr  Zr2  4  0.1264  0.0000  0.1972  1.0
  Cd  Cd3  4  0.1263  0.5000  0.4413  1.0
  H  H4  4  0.1111  0.0000  0.9274  1.0
]