data_SrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBr2
_chemical_formula_sum   'Sr2 Br4'
_cell_volume   203.38
_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  Sr4  1  0.13  0.45  0.7  1.0
  Sr  Sr5  1  0.13  0.55  0.07  1.0
  Br  Br0  1  0.13  0.08  0.69  1.0
  Br  Br1  1  0.13  0.92  0.06  1.0
  Br  Br2  1  0.13  0.54  0.34  1.0
  Br  Br3  1  0.13  0.46  0.71  1.0

data_SrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   6.9
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBr2
_chemical_formula_sum   'Sr2 Br4'
_cell_volume   203.38
_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  0.45  0.58  0.07  1.0
  Sr  Sr1  1  0.55  0.69  0.7  1.0
  Br  Br2  1  0.08  0.22  0.06  1.0
  Br  Br3  1  0.46  0.6  0.34  1.0
  Br  Br4  1  0.54  0.67  0.71  1.0
  Br  Br5  1  0.92  0.05  0.69  1.0

Sr Sr Br Br Br Br
Sr Sr Br Br Br Br 0 5 o o o 0 2 o o o 1 4 o o o 1 3 o o o 2 5 o o o 2 3 o - + 