data_RbAlFe2F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAlFe2F2
_chemical_formula_sum   'Rb2 Al2 Fe4 F4'
_cell_volume   326.67
_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  Rb0  1  0.49  0.0  0.35  1.0
  Rb  Rb1  1  0.0  0.49  0.35  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.49  0.49  0.0  1.0
  Fe  Fe4  1  0.1  0.61  0.0  1.0
  Fe  Fe5  1  0.88  0.37  0.0  1.0
  Fe  Fe6  1  0.61  0.88  0.0  1.0
  Fe  Fe7  1  0.37  0.1  0.0  1.0
  F  F8  1  0.0  0.0  0.83  1.0
  F  F9  1  0.0  0.0  0.88  1.0
  F  F10  1  0.49  0.49  0.88  1.0
  F  F11  1  0.49  0.49  0.83  1.0

data_RbAlFe2F2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.71
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAlFe2F2
_chemical_formula_sum   'Rb2 Al2 Fe4 F4'
_cell_volume   326.67
_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  Rb0  1  0.35  0.0  0.49  1.0
  Rb  Rb1  1  0.35  0.49  0.0  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.0  0.49  0.49  1.0
  Fe  Fe4  1  0.0  0.1  0.61  1.0
  Fe  Fe5  1  0.0  0.37  0.1  1.0
  Fe  Fe6  1  0.0  0.61  0.88  1.0
  Fe  Fe7  1  0.0  0.88  0.37  1.0
  F  F8  1  0.83  0.0  0.0  1.0
  F  F9  1  0.83  0.49  0.49  1.0
  F  F10  1  0.88  0.0  0.0  1.0
  F  F11  1  0.88  0.49  0.49  1.0

Rb Rb Al Al Fe Fe Fe Fe F F F F
Rb Rb Al Al Fe Fe Fe Fe F F F F 0 7 o o o 0 6 o - o 1 5 - o o 1 4 o o o 2 9 o o - 2 4 o - o 2 5 - o o 2 6 - - o 2 7 o o o 3 10 o o - 3 4 o o o 3 5 o o o 3 6 o o o 3 7 o o o 4 5 - o o 4 9 o + - 4 8 o + - 4 11 o o - 4 10 o o - 5 11 o o - 5 10 o o - 5 9 + o - 5 8 + o - 6 11 o o - 6 10 o o - 6 7 o + o 6 9 + + - 6 8 + + - 7 9 o o - 7 8 o o - 7 11 o o - 7 10 o o - 8 9 o o o 10 11 o o o 