data_Sr3(BiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   5.59
_cell_angle_alpha   96.63
_cell_angle_beta   96.63
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(BiN2)2
_chemical_formula_sum   'Sr6 Bi4 N8'
_cell_volume   400.45
_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
  Sr  Sr0  1  0.75  0.77  0.1  1.0
  Sr  Sr1  1  0.48  0.77  0.16  1.0
  Sr  Sr2  1  0.95  0.23  0.41  1.0
  Sr  Sr3  1  0.22  0.23  0.34  1.0
  Sr  Sr4  1  0.59  0.12  0.38  1.0
  Sr  Sr5  1  0.11  0.88  0.13  1.0
  Bi  Bi6  1  0.39  0.74  0.86  1.0
  Bi  Bi7  1  0.79  0.74  0.89  1.0
  Bi  Bi8  1  0.32  0.26  0.65  1.0
  Bi  Bi9  1  0.91  0.26  0.61  1.0
  N  N10  1  0.22  0.64  0.43  1.0
  N  N11  1  0.95  0.64  0.32  1.0
  N  N12  1  0.48  0.36  0.08  1.0
  N  N13  1  0.75  0.36  0.18  1.0
  N  N14  1  0.3  0.11  0.06  1.0
  N  N15  1  0.93  0.11  0.2  1.0
  N  N16  1  0.4  0.89  0.45  1.0
  N  N17  1  0.77  0.89  0.31  1.0

data_Sr3(BiN2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.59
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   93.98
_cell_angle_beta   96.63
_cell_angle_gamma   96.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr3(BiN2)2
_chemical_formula_sum   'Sr6 Bi4 N8'
_cell_volume   400.45
_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
  Sr  Sr0  2  0.09  0.87  0.23  1.0
  Sr  Sr1  2  0.12  0.24  0.12  1.0
  Sr  Sr2  2  0.16  0.6  0.23  1.0
  Bi  Bi3  2  0.36  0.56  0.26  1.0
  Bi  Bi4  2  0.39  0.97  0.26  1.0
  N  N5  2  0.05  0.42  0.89  1.0
  N  N6  2  0.07  0.6  0.64  1.0
  N  N7  2  0.18  0.87  0.64  1.0
  N  N8  2  0.19  0.05  0.89  1.0

Sr Sr Sr Sr Sr Sr Bi Bi Bi Bi N N N N N N N N
Sr Sr Sr Sr Sr Sr Bi Bi Bi Bi N N N N N N N N 0 7 o o - 0 17 o o o 0 5 + o o 0 11 o o o 1 6 o o - 1 16 o o o 1 4 o + o 2 15 o o o 2 9 o o o 2 4 o o o 2 13 o o o 3 14 o o o 3 8 o o o 3 5 o - o 4 14 o o o 4 16 o - o 4 12 o o o 4 8 o o o 4 15 o o o 4 17 o - o 4 13 o o o 4 9 o o o 5 7 - o - 5 11 - o o 5 15 - + o 5 17 - o o 5 6 o o - 5 10 o o o 5 14 o + o 5 16 o o o 6 10 o o o 7 11 o o + 8 12 o o + 9 13 o o o 10 11 - o o 10 16 o o o 11 13 o o o 11 17 o o o 12 14 o o o 12 13 o o o 13 15 o o o 