data_Hg6As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   37.32
_cell_angle_beta   37.32
_cell_angle_gamma   37.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg6As7
_chemical_formula_sum   'Hg6 As7'
_cell_volume   357.8
_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  Hg7  1  0.0  0.0  0.87  1.0
  Hg  Hg8  1  0.0  0.0  0.78  1.0
  Hg  Hg9  1  0.0  0.0  0.8  1.0
  Hg  Hg10  1  0.0  0.0  0.86  1.0
  Hg  Hg11  1  0.0  0.0  0.1  1.0
  Hg  Hg12  1  0.0  0.0  0.56  1.0
  As  As0  1  0.97  0.83  0.38  1.0
  As  As1  1  0.0  0.34  0.38  1.0
  As  As2  1  0.03  0.83  0.38  1.0
  As  As3  1  0.03  0.17  0.28  1.0
  As  As4  1  0.97  0.17  0.28  1.0
  As  As5  1  0.0  0.66  0.28  1.0
  As  As6  1  0.0  0.0  0.0  1.0

data_Hg6As7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   10.28
_cell_angle_alpha   71.34
_cell_angle_beta   71.34
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg6As7
_chemical_formula_sum   'Hg6 As7'
_cell_volume   357.8
_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  0.13  0.87  1.0
  Hg  Hg1  1  0.0  0.14  0.86  1.0
  Hg  Hg2  1  0.0  0.2  0.8  1.0
  Hg  Hg3  1  0.0  0.22  0.78  1.0
  Hg  Hg4  1  0.0  0.44  0.56  1.0
  Hg  Hg5  1  0.0  0.9  0.1  1.0
  As  As6  1  0.0  0.0  0.0  1.0
  As  As7  1  0.17  0.62  0.18  1.0
  As  As8  1  0.17  0.62  0.23  1.0
  As  As9  1  0.34  0.72  0.93  1.0
  As  As10  1  0.66  0.62  0.72  1.0
  As  As11  1  0.83  0.72  0.42  1.0
  As  As12  1  0.83  0.72  0.48  1.0

Hg Hg Hg Hg Hg Hg As As As As As As As
Hg Hg Hg Hg Hg Hg As As As As As As As 0 3 o o o 0 11 o - + 1 2 o o o 1 7 o o o 2 7 o o o 3 11 o - + 4 12 o o o 4 11 o - o 5 9 o o o 5 10 - o o 5 7 o o o 6 8 + o o 6 11 + o o 7 9 o o o 7 10 - o o 7 11 o o o 9 10 - o o 11 12 o + o 