data_MnPbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPbN2
_chemical_formula_sum   'Mn2 Pb2 N4'
_cell_volume   122.54
_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
  Mn  Mn0  1  0.0  0.79  0.69  1.0
  Mn  Mn1  1  0.79  0.0  0.87  1.0
  Pb  Pb2  1  0.0  0.79  0.15  1.0
  Pb  Pb3  1  0.79  0.0  0.4  1.0
  N  N4  1  0.0  0.0  0.0  1.0
  N  N5  1  0.79  0.79  0.0  1.0
  N  N6  1  0.0  0.79  0.36  1.0
  N  N7  1  0.79  0.0  0.2  1.0

data_MnPbN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnPbN2
_chemical_formula_sum   'Mn4 Pb4 N8'
_cell_volume   245.07
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.0  0.0  0.69  1.0
  Mn  Mn1  2  0.29  0.5  0.87  1.0
  Pb  Pb2  2  0.0  0.0  0.15  1.0
  Pb  Pb3  2  0.29  0.5  0.4  1.0
  N  N4  4  0.4  0.4  0.0  1.0
  N  N5  2  0.0  0.0  0.36  1.0
  N  N6  2  0.29  0.5  0.2  1.0

Mn Mn Pb Pb N N N N
Mn Mn Pb Pb N N N N 0 1 - + o 1 5 o - + 1 4 + o + 2 7 - + o 3 6 + - o 4 5 - - o 