data_Mg(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(GeN)2
_chemical_formula_sum   'Mg1 Ge2 N2'
_cell_volume   70.99
_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
  Ge  Ge1  1  0.52  0.88  0.51  1.0
  Ge  Ge2  1  0.0  0.76  0.32  1.0
  N  N3  1  0.52  0.88  0.47  1.0
  N  N4  1  0.0  0.76  0.37  1.0

data_Mg(GeN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(GeN)2
_chemical_formula_sum   'Mg1 Ge2 N2'
_cell_volume   70.99
_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
  Ge  Ge1  1  0.0  0.76  0.32  1.0
  Ge  Ge2  1  0.52  0.88  0.51  1.0
  N  N3  1  0.0  0.76  0.37  1.0
  N  N4  1  0.52  0.88  0.47  1.0

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