data_[Zr2Cd2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1872]
_cell_length_b [2.9813]
_cell_length_c [4.7694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrCdCu2]
_chemical_formula_sum '[Zr2 Cd2 Cu4]'
_cell_volume [135.9945]
_cell_formula_units_Z [2]
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  0.0158  0.5000  0.5384  1
  Cd  Cd1  2  0.2307  0.5000  0.2064  1
  Cu  Cu2  2  0.2760  0.0000  0.7414  1
  Cu  Cu3  2  0.4776  0.5000  0.0138  1
]