data_GaHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   6.03
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBi2
_chemical_formula_sum   'Ga1 Hg1 Bi2'
_cell_volume   113.3
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.92  0.0  0.96  1.0
  Bi  Bi0  1  0.91  0.0  0.45  1.0
  Bi  Bi1  1  0.94  0.0  0.48  1.0

data_GaHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.75
_cell_length_c   6.03
_cell_angle_alpha   100.02
_cell_angle_beta   90.0
_cell_angle_gamma   107.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBi2
_chemical_formula_sum   'Ga1 Hg1 Bi2'
_cell_volume   113.3
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.08  0.04  1.0
  Bi  Bi2  1  0.0  0.06  0.52  1.0
  Bi  Bi3  1  0.0  0.09  0.55  1.0

Ga Hg Bi Bi
Ga Hg Bi Bi 0 1 - o - 2 3 o o o 