data_Be3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   4.36
_cell_length_c   8.46
_cell_angle_alpha   75.18
_cell_angle_beta   29.82
_cell_angle_gamma   75.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Hg2
_chemical_formula_sum   'Be6 Hg4'
_cell_volume   149.53
_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
  Be  Be0  1  0.78  0.86  0.88  1.0
  Be  Be1  1  0.36  0.9  0.88  1.0
  Be  Be2  1  0.31  0.85  0.42  1.0
  Be  Be3  1  0.9  0.8  0.42  1.0
  Be  Be4  1  0.07  0.88  0.62  1.0
  Be  Be5  1  0.6  0.83  0.16  1.0
  Hg  Hg6  1  0.52  0.02  0.08  1.0
  Hg  Hg7  1  0.62  0.75  0.08  1.0
  Hg  Hg8  1  0.06  0.81  0.54  1.0
  Hg  Hg9  1  0.08  0.96  0.54  1.0

data_Be3Hg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   8.46
_cell_angle_alpha   104.82
_cell_angle_beta   104.82
_cell_angle_gamma   90.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Hg2
_chemical_formula_sum   'Be6 Hg4'
_cell_volume   149.53
_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
  Be  Be0  1  0.12  0.42  0.32  1.0
  Be  Be1  1  0.14  0.88  0.24  1.0
  Be  Be2  1  0.52  0.88  0.66  1.0
  Be  Be3  1  0.57  0.62  0.69  1.0
  Be  Be4  1  0.58  0.42  0.74  1.0
  Be  Be5  1  0.59  0.16  0.77  1.0
  Hg  Hg6  1  0.4  0.54  0.59  1.0
  Hg  Hg7  1  0.45  0.08  0.7  1.0
  Hg  Hg8  1  0.58  0.54  0.62  1.0
  Hg  Hg9  1  0.62  0.08  0.6  1.0

Be Be Be Be Be Be Hg Hg Hg Hg
Be Be Be Be Be Be Hg Hg Hg Hg 0 7 o o + 0 6 o + + 1 3 - o + 1 3 o o o 2 9 o o o 2 4 o o o 2 5 o o o 3 8 + o o 4 9 o o o 4 8 o o o 5 7 o o o 5 6 o + o 6 7 o - o 8 9 o o o 