data_Sr2Co(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   27.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Co(BrO)2
_chemical_formula_sum   'Sr2 Co1 Br2 O2'
_cell_volume   415.33
_cell_formula_units_Z   1
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  Sr5  1  0.0  0.0  0.25  1.0
  Sr  Sr6  1  0.0  0.0  0.38  1.0
  Co  Co2  1  0.5  0.5  0.32  1.0
  Br  Br0  1  0.5  0.5  0.2  1.0
  Br  Br1  1  0.5  0.5  0.44  1.0
  O  O3  1  0.5  0.0  0.32  1.0
  O  O4  1  0.0  0.5  0.32  1.0

Sr Sr Co Br Br O O 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 5 - o o 0 5 o o o 0 6 o - o 0 6 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 4 - - o 1 4 - o o 1 4 o - o 1 4 o o o 1 5 - o o 1 5 o o o 1 6 o - o 1 6 o o o 2 6 o o o 2 6 + o o 2 5 o o o 2 5 o + o 2 3 o o o 2 4 o o o 3 6 o o o 3 6 + o o 3 3 + o o 3 3 o + o 3 5 o o o 3 5 o + o 4 6 o o o 4 6 + o o 4 4 + o o 4 4 o + o 4 5 o o o 4 5 o + o 
data_Sr2Co(BrO)2
_symmetry_space_group_name_H-M   P4/mmm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   27.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   123
_chemical_formula_structural   Sr2Co(BrO)2
_chemical_formula_sum   'Sr2 Co1 Br2 O2'
_cell_volume   415.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, 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  0.0  0.0  0.06  1.0
  Co  Co1  1  0.5  0.5  0.0  1.0
  Br  Br2  2  0.5  0.5  0.12  1.0
  O  O3  2  0.0  0.5  0.0  1.0
