data_Yb3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   56.45
_cell_angle_beta   56.45
_cell_angle_gamma   56.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3N2
_chemical_formula_sum   'Yb6 N4'
_cell_volume   172.68
_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
  Yb  Yb4  1  0.24  0.76  0.43  1.0
  Yb  Yb5  1  0.9  0.05  0.43  1.0
  Yb  Yb6  1  0.86  0.2  0.43  1.0
  Yb  Yb7  1  0.14  0.8  0.74  1.0
  Yb  Yb8  1  0.1  0.95  0.74  1.0
  Yb  Yb9  1  0.76  0.24  0.74  1.0
  N  N0  1  0.0  0.0  0.81  1.0
  N  N1  1  0.0  0.0  0.43  1.0
  N  N2  1  0.0  0.0  0.73  1.0
  N  N3  1  0.0  0.0  0.35  1.0

data_Yb3N2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.43
_cell_angle_alpha   61.78
_cell_angle_beta   61.78
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Yb3N2
_chemical_formula_sum   'Yb6 N4'
_cell_volume   172.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Yb  Yb0  2  0.05  0.85  0.71  1.0
  Yb  Yb1  2  0.2  0.85  0.6  1.0
  Yb  Yb2  2  0.24  0.15  0.34  1.0
  N  N3  2  0.0  0.15  0.35  1.0
  N  N4  2  0.0  0.23  0.27  1.0

Yb Yb Yb Yb Yb Yb N N N N
Yb Yb Yb Yb Yb Yb N N N N 0 9 o + o 0 7 o + o 1 9 + o o 1 7 + o o 1 2 o o o 3 4 o o o 4 8 o + o 4 6 o + o 5 8 + o o 5 6 + o o 6 8 o o o 7 9 o o o 