data_Hg5Br11N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25
_cell_length_b   10.25
_cell_length_c   6.96
_cell_angle_alpha   107.51
_cell_angle_beta   107.51
_cell_angle_gamma   101.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Br11N
_chemical_formula_sum   'Hg5 Br11 N1'
_cell_volume   628.86
_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
  Hg  Hg0  1  0.11  0.34  0.18  1.0
  Hg  Hg1  1  0.11  0.66  0.18  1.0
  Hg  Hg2  1  0.48  0.66  0.93  1.0
  Hg  Hg3  1  0.48  0.34  0.93  1.0
  Hg  Hg4  1  0.46  0.0  0.0  1.0
  Br  Br5  1  0.59  0.02  0.44  1.0
  Br  Br6  1  0.59  0.98  0.44  1.0
  Br  Br7  1  1.0  0.98  0.68  1.0
  Br  Br8  1  1.0  0.02  0.68  1.0
  Br  Br9  1  0.46  0.49  0.85  1.0
  Br  Br10  1  0.46  0.51  0.85  1.0
  Br  Br11  1  0.13  0.51  0.27  1.0
  Br  Br12  1  0.13  0.49  0.27  1.0
  Br  Br13  1  0.58  0.0  0.7  1.0
  Br  Br14  1  0.01  0.0  0.42  1.0
  Br  Br15  1  0.34  0.0  0.06  1.0
  N  N16  1  0.0  0.0  0.0  1.0

data_Hg5Br11N
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.96
_cell_length_b   10.25
_cell_length_c   10.25
_cell_angle_alpha   101.9
_cell_angle_beta   107.51
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Br11N
_chemical_formula_sum   'Hg5 Br11 N1'
_cell_volume   628.86
_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
  Hg  Hg0  1  0.0  0.46  0.0  1.0
  Hg  Hg1  1  0.18  0.11  0.34  1.0
  Hg  Hg2  1  0.18  0.11  0.66  1.0
  Hg  Hg3  1  0.93  0.48  0.34  1.0
  Hg  Hg4  1  0.93  0.48  0.66  1.0
  Br  Br5  1  0.06  0.34  0.0  1.0
  Br  Br6  1  0.27  0.13  0.49  1.0
  Br  Br7  1  0.27  0.13  0.51  1.0
  Br  Br8  1  0.42  0.01  0.0  1.0
  Br  Br9  1  0.44  0.59  0.98  1.0
  Br  Br10  1  0.44  0.59  0.02  1.0
  Br  Br11  1  0.68  1.0  0.98  1.0
  Br  Br12  1  0.68  1.0  0.02  1.0
  Br  Br13  1  0.7  0.58  0.0  1.0
  Br  Br14  1  0.85  0.46  0.49  1.0
  Br  Br15  1  0.85  0.46  0.51  1.0
  N  N16  1  0.0  0.0  0.0  1.0

Hg Hg Hg Hg Hg Br Br Br Br Br Br Br Br Br Br Br N
Hg Hg Hg Hg Hg Br Br Br Br Br Br Br Br Br Br Br N 0 12 o o o 0 11 o o o 1 12 o o o 1 11 o o o 2 10 o o o 2 9 o o o 3 10 o o o 3 9 o o o 4 15 o o o 5 6 o - o 5 13 o o o 6 13 o + o 7 8 o + o 7 14 + + o 7 16 + + + 8 14 + o o 8 16 + o + 9 10 o o o 11 12 o o o 