data_[Cd2C8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3698]
_cell_length_b [7.6205]
_cell_length_c [9.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd(C2N3)2]
_chemical_formula_sum '[Cd2 C8 N12]'
_cell_volume [378.7205]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1
  C  C1  4  0.0970  0.6338  0.8683  1
  C  C2  4  0.3898  0.6448  0.1598  1
  N  N3  4  0.0131  0.5882  0.7300  1
  N  N4  4  0.1706  0.6965  0.0151  1
  N  N5  4  0.4185  0.1084  0.2031  1
]