data_Sr2BN2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.52
_cell_length_b   4.21
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BN2Cl
_chemical_formula_sum   'Sr8 B4 N8 Cl4'
_cell_volume   489.22
_cell_formula_units_Z   4
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  0.36  0.05  0.21  1.0
  Sr  Sr1  1  0.1  0.05  0.73  1.0
  Sr  Sr2  1  0.42  0.16  0.56  1.0
  Sr  Sr3  1  0.16  0.16  0.08  1.0
  Sr  Sr4  1  0.39  0.16  0.72  1.0
  Sr  Sr5  1  0.13  0.05  0.57  1.0
  Sr  Sr6  1  0.39  0.05  0.07  1.0
  Sr  Sr7  1  0.13  0.16  0.22  1.0
  B  B8  1  0.09  0.16  0.06  1.0
  B  B9  1  0.43  0.05  0.23  1.0
  B  B10  1  0.17  0.05  0.7  1.0
  B  B11  1  0.35  0.16  0.59  1.0
  N  N12  1  0.94  0.16  0.79  1.0
  N  N13  1  0.58  0.05  0.5  1.0
  N  N14  1  0.84  0.05  0.44  1.0
  N  N15  1  0.54  0.16  0.3  1.0
  N  N16  1  0.8  0.16  0.34  1.0
  N  N17  1  0.72  0.05  0.94  1.0
  N  N18  1  0.98  0.05  0.99  1.0
  N  N19  1  0.68  0.16  0.85  1.0
  Cl  Cl20  1  0.78  0.16  0.94  1.0
  Cl  Cl21  1  0.48  0.05  0.3  1.0
  Cl  Cl22  1  0.74  0.05  0.35  1.0
  Cl  Cl23  1  0.04  0.16  0.99  1.0

data_Sr2BN2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.21
_cell_length_b   9.29
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr2BN2Cl
_chemical_formula_sum   'Sr8 B4 N8 Cl4'
_cell_volume   489.22
_cell_formula_units_Z   4
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  0.05  0.57  0.13  1.0
  Sr  Sr1  2  0.05  0.07  0.87  1.0
  Sr  Sr2  2  0.05  0.42  0.16  1.0
  Sr  Sr3  2  0.05  0.94  0.9  1.0
  B  B4  2  0.05  0.91  0.83  1.0
  B  B5  2  0.05  0.44  0.09  1.0
  N  N6  2  0.05  0.16  0.28  1.0
  N  N7  2  0.05  0.2  0.54  1.0
  N  N8  2  0.05  0.65  0.68  1.0
  N  N9  2  0.05  0.71  0.42  1.0
  Cl  Cl10  2  0.05  0.8  0.52  1.0
  Cl  Cl11  2  0.05  0.85  0.78  1.0

Sr Sr Sr Sr Sr Sr Sr Sr B B B B N N N N N N N N Cl Cl Cl Cl