# generated using pymatgen
data_CdCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29039525
_cell_length_b   6.29039525
_cell_length_c   6.29039508
_cell_angle_alpha   34.43150059
_cell_angle_beta   34.43150059
_cell_angle_gamma   34.43149477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCN2
_chemical_formula_sum   'Cd1 C1 N2'
_cell_volume   70.98255310
_cell_formula_units_Z   1
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  1  0.99918500  0.99918500  0.99918500  1.0
  C  C1  1  0.41063500  0.41063500  0.41063500  1.0
  N  N2  1  0.62414600  0.62414600  0.62414600  1.0
  N  N3  1  0.47703400  0.47703400  0.47703400  1.0