data_Ba3(BiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   6.32
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   93.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3(BiN2)2
_chemical_formula_sum   'Ba6 Bi4 N8'
_cell_volume   476.7
_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
  Ba  Ba0  1  0.29  0.63  0.27  1.0
  Ba  Ba1  1  0.13  0.63  0.83  1.0
  Ba  Ba2  1  0.54  0.37  0.93  1.0
  Ba  Ba3  1  0.69  0.37  0.37  1.0
  Ba  Ba4  1  0.12  0.35  0.65  1.0
  Ba  Ba5  1  0.71  0.65  0.55  1.0
  Bi  Bi6  1  0.72  0.59  0.93  1.0
  Bi  Bi7  1  0.51  0.59  0.37  1.0
  Bi  Bi8  1  0.1  0.41  0.27  1.0
  Bi  Bi9  1  0.32  0.41  0.83  1.0
  N  N10  1  0.59  0.73  0.63  1.0
  N  N11  1  0.64  0.73  0.67  1.0
  N  N12  1  0.24  0.27  0.57  1.0
  N  N13  1  0.18  0.27  0.53  1.0
  N  N14  1  0.01  0.72  0.82  1.0
  N  N15  1  0.22  0.72  0.48  1.0
  N  N16  1  0.82  0.28  0.38  1.0
  N  N17  1  0.61  0.28  0.72  1.0

data_Ba3(BiN2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.32
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   93.54
_cell_angle_beta   97.44
_cell_angle_gamma   97.44
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba3(BiN2)2
_chemical_formula_sum   'Ba6 Bi4 N8'
_cell_volume   476.7
_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
  Ba  Ba0  2  0.17  0.88  0.63  1.0
  Ba  Ba1  2  0.27  0.28  0.37  1.0
  Ba  Ba2  2  0.45  0.3  0.65  1.0
  Bi  Bi3  2  0.17  0.69  0.41  1.0
  Bi  Bi4  2  0.27  0.09  0.59  1.0
  N  N5  2  0.28  0.4  0.28  1.0
  N  N6  2  0.38  0.81  0.72  1.0
  N  N7  2  0.43  0.77  0.27  1.0
  N  N8  2  0.47  0.83  0.27  1.0

Ba Ba Ba Ba Ba Ba Bi Bi Bi Bi N N N N N N N N