data_RbBrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   26.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbBrF4
_chemical_formula_sum   'Rb2 Br2 F8'
_cell_volume   1296.45
_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
  Rb  Rb10  1  0.0  0.0  0.21  1.0
  Rb  Rb11  1  0.5  0.5  0.21  1.0
  Br  Br0  1  0.0  0.5  0.21  1.0
  Br  Br1  1  0.5  0.0  0.21  1.0
  F  F2  1  0.64  0.14  0.16  1.0
  F  F3  1  0.36  0.86  0.16  1.0
  F  F4  1  0.14  0.36  0.16  1.0
  F  F5  1  0.86  0.64  0.16  1.0
  F  F6  1  0.64  0.14  0.26  1.0
  F  F7  1  0.36  0.86  0.26  1.0
  F  F8  1  0.14  0.36  0.26  1.0
  F  F9  1  0.86  0.64  0.26  1.0

Rb Rb Br Br F F F F F F F F 0 7 - - o 0 11 - - o 0 4 - o o 0 8 - o o 0 3 - o o 0 3 o o o 0 5 o - o 0 9 o - o 0 2 o - o 0 2 o o o 0 6 o o o 0 10 o o o 1 6 o o o 1 10 o o o 1 5 o o o 1 9 o o o 1 2 o o o 1 2 + o o 1 4 o o o 1 8 o o o 1 3 o o o 1 3 o + o 1 7 o o o 1 11 o o o 2 7 - o o 2 11 - o o 2 6 o o o 2 10 o o o 3 5 o - o 3 9 o - o 3 4 o o o 3 8 o o o 
data_RbBrF4
_symmetry_space_group_name_H-M   P4/mbm
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   26.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   127
_chemical_formula_structural   RbBrF4
_chemical_formula_sum   'Rb2 Br2 F8'
_cell_volume   1296.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  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+1/2, -y+1/2, -z'
  10  '-x+1/2, y+1/2, z'
  11  '-y+1/2, -x+1/2, -z'
  12  'y+1/2, x+1/2, z'
  13  '-x+1/2, y+1/2, -z'
  14  'x+1/2, -y+1/2, z'
  15  'y+1/2, x+1/2, -z'
  16  '-y+1/2, -x+1/2, 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
  Rb  Rb0  2  0.0  0.0  0.0  1.0
  Br  Br1  2  0.0  0.5  0.0  1.0
  F  F2  8  0.14  0.36  0.05  1.0
