data_Rb2MnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2MnF5
_chemical_formula_sum   'Rb2 Mn1 F5'
_cell_volume   135.4
_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  Rb6  1  0.89  0.0  0.0  1.0
  Rb  Rb7  1  0.0  0.89  0.0  1.0
  Mn  Mn5  1  0.0  0.0  0.03  1.0
  F  F0  1  0.33  0.33  0.03  1.0
  F  F1  1  0.45  0.33  0.03  1.0
  F  F2  1  0.33  0.45  0.03  1.0
  F  F3  1  0.45  0.45  0.03  1.0
  F  F4  1  0.0  0.0  0.0  1.0

data_Rb2MnF5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rb2MnF5
_chemical_formula_sum   'Rb4 Mn2 F10'
_cell_volume   270.8
_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+1/2, z'
  4  'x+1/2, -y+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  4  0.45  0.45  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.03  1.0
  F  F2  4  0.39  0.06  0.03  1.0
  F  F3  2  0.0  0.0  0.0  1.0
  F  F4  2  0.33  0.0  0.03  1.0
  F  F5  2  0.45  0.0  0.03  1.0

Rb Rb Mn F F F F F
Rb Rb Mn F F F F F 0 7 + o o 0 2 + o o 1 7 o + o 1 2 o + o 2 7 o o o 3 5 o o o 3 4 o o o 4 6 o o o 5 6 o o o 