data_FeHgO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   9.52
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgO2F5
_chemical_formula_sum   'Fe2 Hg2 O4 F10'
_cell_volume   266.44
_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
  Fe  Fe0  1  0.6  0.76  0.94  1.0
  Fe  Fe1  1  0.0  0.0  0.94  1.0
  Hg  Hg2  1  0.0  0.76  0.0  1.0
  Hg  Hg3  1  0.6  0.0  0.0  1.0
  O  O4  1  0.94  0.02  0.0  1.0
  O  O5  1  0.26  0.5  0.0  1.0
  O  O6  1  0.66  0.78  0.0  1.0
  O  O7  1  0.55  0.74  0.0  1.0
  F  F8  1  0.77  0.81  0.94  1.0
  F  F9  1  0.44  0.71  0.94  1.0
  F  F10  1  0.04  0.57  0.94  1.0
  F  F11  1  0.17  0.95  0.94  1.0
  F  F12  1  0.67  0.63  0.94  1.0
  F  F13  1  0.53  0.89  0.94  1.0
  F  F14  1  0.93  0.39  0.94  1.0
  F  F15  1  0.28  0.13  0.94  1.0
  F  F16  1  0.6  0.76  0.0  1.0
  F  F17  1  0.0  0.0  0.0  1.0

data_FeHgO2F5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   7.21
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgO2F5
_chemical_formula_sum   'Fe2 Hg2 O4 F10'
_cell_volume   266.44
_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
  Fe  Fe0  1  0.94  0.0  0.0  1.0
  Fe  Fe1  1  0.94  0.6  0.76  1.0
  Hg  Hg2  1  -0.0  0.0  0.76  1.0
  Hg  Hg3  1  -0.0  0.6  0.0  1.0
  O  O4  1  -0.0  0.94  0.02  1.0
  O  O5  1  -0.0  0.66  0.78  1.0
  O  O6  1  -0.0  0.55  0.74  1.0
  O  O7  1  -0.0  0.26  0.5  1.0
  F  F8  1  -0.0  0.6  0.76  1.0
  F  F9  1  0.0  0.0  0.0  1.0
  F  F10  1  0.94  0.04  0.57  1.0
  F  F11  1  0.94  0.17  0.95  1.0
  F  F12  1  0.94  0.28  0.13  1.0
  F  F13  1  0.94  0.44  0.71  1.0
  F  F14  1  0.94  0.53  0.89  1.0
  F  F15  1  0.94  0.67  0.63  1.0
  F  F16  1  0.94  0.77  0.81  1.0
  F  F17  1  0.94  0.93  0.39  1.0

Fe Fe Hg Hg O O O O F F F F F F F F F F