data_CdSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   126.43
_cell_angle_beta   126.43
_cell_angle_gamma   79.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiN2
_chemical_formula_sum   'Cd2 Si2 N4'
_cell_volume   96.85
_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  0.42  0.0  0.07  1.0
  Cd  Cd1  1  0.0  0.0  0.14  1.0
  Si  Si2  1  0.0  0.42  0.07  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  N  N4  1  0.66  0.79  0.17  1.0
  N  N5  1  0.75  0.63  0.03  1.0
  N  N6  1  0.21  0.75  0.97  1.0
  N  N7  1  0.21  0.66  0.1  1.0

data_CdSiN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.37
_cell_angle_alpha   116.79
_cell_angle_beta   116.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiN2
_chemical_formula_sum   'Cd2 Si2 N4'
_cell_volume   96.85
_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  0.86  0.0  0.86  1.0
  Cd  Cd1  1  0.93  0.0  0.35  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.35  0.42  0.35  1.0
  N  N4  1  0.56  0.66  0.77  1.0
  N  N5  1  0.59  0.63  0.35  1.0
  N  N6  1  0.62  0.79  0.28  1.0
  N  N7  1  0.79  0.75  1.0  1.0

Cd Cd Si Si N N N N
Cd Cd Si Si N N N N 0 6 o - - 0 4 o - o 1 3 o o o 2 5 - o o 2 7 o o o 4 5 o o o 6 7 o o + 