data_[Zr2Cd4Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.2077]
_cell_length_b [5.0631]
_cell_length_c [7.7458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrCd2Si]
_chemical_formula_sum '[Zr2 Cd4 Si2]'
_cell_volume [165.0133]
_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  0.5000  0.7152  1
  Cd  Cd1  2  0.0000  0.0000  0.0028  1
  Cd  Cd2  2  0.0000  0.5000  0.2752  1
  Si  Si3  2  0.0000  0.0000  0.5068  1
]