data_Cd4RuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   8.65
_cell_angle_alpha   106.73
_cell_angle_beta   106.73
_cell_angle_gamma   63.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4RuN4
_chemical_formula_sum   'Cd8 Ru2 N8'
_cell_volume   305.63
_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  1  0.81  0.0  0.96  1.0
  Cd  Cd1  1  0.27  0.0  0.18  1.0
  Cd  Cd2  1  0.51  0.31  0.0  1.0
  Cd  Cd3  1  0.51  0.69  0.0  1.0
  Cd  Cd4  1  0.57  0.31  0.09  1.0
  Cd  Cd5  1  0.51  0.69  0.05  1.0
  Cd  Cd6  1  0.57  0.69  0.09  1.0
  Cd  Cd7  1  0.51  0.31  0.05  1.0
  Ru  Ru8  1  0.37  0.0  0.36  1.0
  Ru  Ru9  1  0.71  0.0  0.78  1.0
  N  N10  1  0.71  0.47  0.35  1.0
  N  N11  1  0.37  0.53  0.79  1.0
  N  N12  1  0.44  0.0  0.85  1.0
  N  N13  1  0.65  0.0  0.29  1.0
  N  N14  1  0.51  0.0  0.68  1.0
  N  N15  1  0.57  0.0  0.46  1.0
  N  N16  1  0.37  0.47  0.79  1.0
  N  N17  1  0.71  0.53  0.35  1.0

data_Cd4RuN4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   8.65
_cell_angle_alpha   73.27
_cell_angle_beta   73.27
_cell_angle_gamma   63.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4RuN4
_chemical_formula_sum   'Cd8 Ru2 N8'
_cell_volume   305.63
_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  1  0.19  0.0  0.96  1.0
  Cd  Cd1  1  0.43  0.31  0.09  1.0
  Cd  Cd2  1  0.43  0.69  0.09  1.0
  Cd  Cd3  1  0.49  0.31  0.05  1.0
  Cd  Cd4  1  0.49  0.69  0.05  1.0
  Cd  Cd5  1  0.49  0.31  -0.0  1.0
  Cd  Cd6  1  0.49  0.69  -0.0  1.0
  Cd  Cd7  1  0.73  0.0  0.18  1.0
  Ru  Ru8  1  0.29  0.0  0.78  1.0
  Ru  Ru9  1  0.63  0.0  0.36  1.0
  N  N10  1  0.29  0.47  0.35  1.0
  N  N11  1  0.29  0.53  0.35  1.0
  N  N12  1  0.35  0.0  0.29  1.0
  N  N13  1  0.43  0.0  0.46  1.0
  N  N14  1  0.49  0.0  0.68  1.0
  N  N15  1  0.56  0.0  0.85  1.0
  N  N16  1  0.63  0.47  0.79  1.0
  N  N17  1  0.63  0.53  0.79  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Ru Ru N N N N N N N N
Cd Cd Cd Cd Cd Cd Cd Cd Ru Ru N N N N N N N N 0 9 o o o 1 8 o o o 2 7 o o o 3 5 o o o 4 7 o o o 5 6 o o o 8 15 o o o 8 13 o o o 9 14 o o o 9 12 o o o 10 17 o o o 11 16 o o o 12 14 o o o 13 15 o o o 