data_[Zr4Cd8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9679]
_cell_length_b [3.0675]
_cell_length_c [7.5292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrCd2]
_chemical_formula_sum '[Zr4 Cd8]'
_cell_volume [267.9774]
_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  2  0.0627  0.0000  0.6261  1.0
  Zr  Zr1  2  0.2199  0.5000  0.9353  1.0
  Cd  Cd2  2  0.1632  0.5000  0.3302  1.0
  Cd  Cd3  2  0.3338  0.0000  0.6612  1.0
  Cd  Cd4  2  0.3896  0.0000  0.2825  1.0
  Cd  Cd5  2  0.4975  0.5000  0.9980  1.0
]