data_[Zr16Nb8Cd12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9145]
_cell_length_b [5.7266]
_cell_length_c [15.2854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Nb2(CdC)3]
_chemical_formula_sum '[Zr16 Nb8 Cd12 C12]'
_cell_volume [846.8903]
_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  8  0.1123  0.0786  0.0858  1
  Zr  Zr1  8  0.2188  0.0853  0.4143  1
  Nb  Nb2  8  0.0610  0.4145  0.9267  1
  Cd  Cd3  8  0.1515  0.4302  0.2492  1
  Cd  Cd4  4  0.0000  0.1147  0.7500  1
  C  C5  8  0.0819  0.2544  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]