data_[Zr4Cd2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.5308]
_cell_length_b [4.9400]
_cell_length_c [9.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Zr2CdRu]
_chemical_formula_sum '[Zr4 Cd2 Ru2]'
_cell_volume [162.0196]
_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  0.0000  0.0000  0.9649  1
  Zr  Zr1  2  0.0000  0.5000  0.2481  1
  Cd  Cd2  2  0.0000  0.0000  0.5245  1
  Ru  Ru3  2  0.0000  0.5000  0.7625  1
]