data_AlHg3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   84.12
_cell_angle_beta   84.12
_cell_angle_gamma   84.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg3(OF3)2
_chemical_formula_sum   'Al1 Hg3 O2 F6'
_cell_volume   167.05
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.85  0.93  0.51  1.0
  Hg  Hg2  1  0.0  0.14  0.51  1.0
  Hg  Hg3  1  0.15  0.93  0.51  1.0
  O  O4  1  0.0  0.0  0.59  1.0
  O  O5  1  0.0  0.0  0.93  1.0
  F  F6  1  0.0  0.78  0.98  1.0
  F  F7  1  0.59  0.61  0.98  1.0
  F  F8  1  0.41  0.61  0.98  1.0
  F  F9  1  0.0  0.22  0.54  1.0
  F  F10  1  0.41  0.39  0.54  1.0
  F  F11  1  0.59  0.39  0.54  1.0

data_AlHg3(OF3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   84.12
_cell_angle_beta   84.12
_cell_angle_gamma   84.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg3(OF3)2
_chemical_formula_sum   'Al1 Hg3 O2 F6'
_cell_volume   167.05
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.07  0.15  0.49  1.0
  Hg  Hg2  1  0.07  0.85  0.49  1.0
  Hg  Hg3  1  0.86  0.0  0.49  1.0
  O  O4  1  0.0  0.0  0.07  1.0
  O  O5  1  0.0  0.0  0.41  1.0
  F  F6  1  0.22  -0.0  0.02  1.0
  F  F7  1  0.39  0.41  0.02  1.0
  F  F8  1  0.39  0.59  0.02  1.0
  F  F9  1  0.61  0.41  0.46  1.0
  F  F10  1  0.61  0.59  0.46  1.0
  F  F11  1  0.78  0.0  0.46  1.0

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