data_RbFe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbFe(SO4)2
_chemical_formula_sum   'Rb1 Fe1 S2 O8'
_cell_volume   179.79
_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
  Rb  Rb0  1  0.0  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.84  0.75  1.0
  S  S3  1  0.46  0.42  0.84  1.0
  O  O4  1  0.58  0.49  0.27  1.0
  O  O5  1  0.38  0.15  0.27  1.0
  O  O6  1  0.5  0.38  0.32  1.0
  O  O7  1  0.04  0.87  0.27  1.0
  O  O8  1  0.04  0.77  0.32  1.0
  O  O9  1  0.83  0.11  0.32  1.0
  O  O10  1  0.0  0.84  0.22  1.0
  O  O11  1  0.46  0.42  0.37  1.0

data_RbFe(SO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbFe(SO4)2
_chemical_formula_sum   'Rb1 Fe1 S2 O8'
_cell_volume   179.79
_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
  Rb  Rb0  1  0.0  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.84  0.75  1.0
  S  S3  1  0.46  0.42  0.84  1.0
  O  O4  1  0.0  0.84  0.22  1.0
  O  O5  1  0.04  0.77  0.32  1.0
  O  O6  1  0.04  0.87  0.27  1.0
  O  O7  1  0.38  0.15  0.27  1.0
  O  O8  1  0.46  0.42  0.37  1.0
  O  O9  1  0.5  0.38  0.32  1.0
  O  O10  1  0.58  0.49  0.27  1.0
  O  O11  1  0.83  0.11  0.32  1.0

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