data_Mg(PbN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(PbN)2
_chemical_formula_sum   'Mg1 Pb2 N2'
_cell_volume   92.01
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.7  0.98  0.65  1.0
  Pb  Pb2  1  0.0  0.96  0.59  1.0
  N  N3  1  0.7  0.98  0.96  1.0
  N  N4  1  0.0  0.96  0.28  1.0

data_Mg(PbN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(PbN)2
_chemical_formula_sum   'Mg1 Pb2 N2'
_cell_volume   92.01
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  -0.0  0.96  0.59  1.0
  Pb  Pb2  1  0.7  0.98  0.65  1.0
  N  N3  1  -0.0  0.96  0.28  1.0
  N  N4  1  0.7  0.98  0.96  1.0

Mg Pb Pb N N
Mg Pb Pb N N 0 3 - - - 0 4 o - o 1 2 + o o 2 4 o o o 3 4 + o + 4 4 + + o 4 4 o + o 4 4 + o o 