data_[Zr6Cd2Ag6]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3319]
_cell_length_b [4.7868]
_cell_length_c [8.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr3CdAg3]
_chemical_formula_sum '[Zr6 Cd2 Ag6]'
_cell_volume [287.0194]
_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  0.0041  0.7500  0.2639  1
  Zr  Zr1  2  0.1226  0.7500  0.9632  1
  Zr  Zr2  2  0.3186  0.2500  0.1749  1
  Cd  Cd3  2  0.2472  0.7500  0.6518  1
  Ag  Ag4  2  0.1695  0.2500  0.4499  1
  Ag  Ag5  2  0.4249  0.2500  0.8788  1
  Ag  Ag6  2  0.4265  0.7500  0.3956  1
]