data_Ba2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   146.2
_cell_angle_beta   146.2
_cell_angle_gamma   48.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnN2
_chemical_formula_sum   'Ba2 Zn1 N2'
_cell_volume   113.45
_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
  Ba  Ba0  1  0.0  0.0  0.5  1.0
  Ba  Ba1  1  0.0  0.0  0.57  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  N  N2  1  0.0  0.0  0.22  1.0
  N  N3  1  0.0  0.0  0.84  1.0

data_Ba2ZnN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2ZnN2
_chemical_formula_sum   'Ba4 Zn2 N4'
_cell_volume   226.91
_cell_formula_units_Z   2
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
  Ba  Ba0  2  0.0  0.5  0.5  1.0
  Ba  Ba1  2  0.07  0.5  0.57  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  N  N3  2  0.22  0.0  0.22  1.0
  N  N4  2  0.34  0.5  0.84  1.0

Ba Ba Zn N N