data_SrBiBrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.99
_cell_length_c   26.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBiBrO2
_chemical_formula_sum   'Sr2 Bi2 Br2 O4'
_cell_volume   894.43
_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  0.5  0.83  1.0
  Sr  Sr1  1  0.25  0.5  0.92  1.0
  Bi  Bi2  1  0.25  0.0  0.84  1.0
  Bi  Bi3  1  0.75  1.0  0.92  1.0
  Br  Br4  1  0.75  0.5  0.99  1.0
  Br  Br5  1  0.25  0.5  0.77  1.0
  O  O6  1  0.0  0.23  0.88  1.0
  O  O7  1  0.5  0.77  0.88  1.0
  O  O8  1  1.0  0.77  0.88  1.0
  O  O9  1  0.5  0.23  0.88  1.0

Sr Sr Bi Bi Br Br O O O O 0 9 o o o 0 7 o o o 0 6 + o o 0 8 o o o 0 5 + o o 0 5 o o o 1 6 o o o 1 8 - o o 1 9 o o o 1 7 o o o 1 4 o o o 1 4 - o o 2 8 - - o 2 6 o o o 2 7 o - o 2 9 o o o 2 5 o o o 2 5 o - o 3 7 o o o 3 9 o + o 3 8 o o o 3 6 + + o 3 4 o + o 3 4 o o o 4 9 o o o 4 7 o o o 4 6 + o o 4 8 o o o 5 6 o o o 5 8 - o o 5 9 o o o 5 7 o o o 6 8 - - o 7 9 o + o 
data_SrBiBrO2
_symmetry_space_group_name_H-M   Pmma
_cell_length_a   5.64
_cell_length_b   5.99
_cell_length_c   26.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   51
_chemical_formula_structural   SrBiBrO2
_chemical_formula_sum   'Sr2 Bi2 Br2 O4'
_cell_volume   894.43
_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, z'
  4  'x+1/2, y, -z'
  5  'x+1/2, -y, -z'
  6  '-x+1/2, y, z'
  7  '-x, y, -z'
  8  '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  0.25  0.0  0.55  1.0
  Bi  Bi1  2  0.25  0.5  0.46  1.0
  Br  Br2  2  0.25  0.0  0.39  1.0
  O  O3  4  0.0  0.27  0.5  1.0
