data_Hg4Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   3.41
_cell_angle_alpha   93.45
_cell_angle_beta   93.45
_cell_angle_gamma   39.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4Bi
_chemical_formula_sum   'Hg4 Bi1'
_cell_volume   138.83
_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  Hg1  1  0.87  0.0  0.11  1.0
  Hg  Hg2  1  0.93  0.0  0.67  1.0
  Hg  Hg3  1  0.9  0.0  0.72  1.0
  Hg  Hg4  1  0.96  0.0  0.29  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Hg4Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.43
_cell_length_c   8.0
_cell_angle_alpha   109.84
_cell_angle_beta   93.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4Bi
_chemical_formula_sum   'Hg4 Bi1'
_cell_volume   138.83
_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  0.28  0.0  0.1  1.0
  Hg  Hg1  1  0.33  0.0  0.07  1.0
  Hg  Hg2  1  0.71  0.0  0.04  1.0
  Hg  Hg3  1  0.89  0.0  0.13  1.0
  Bi  Bi4  1  0.0  0.0  0.0  1.0

Hg Hg Hg Hg Bi