data_Co2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgBi
_chemical_formula_sum   'Co2 Hg1 Bi1'
_cell_volume   75.55
_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
  Co  Co1  1  0.0  0.0  0.45  1.0
  Co  Co2  1  0.58  0.58  0.47  1.0
  Hg  Hg3  1  0.0  0.0  0.21  1.0
  Bi  Bi0  1  0.58  0.58  0.16  1.0

data_Co2HgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2HgBi
_chemical_formula_sum   'Co4 Hg2 Bi2'
_cell_volume   151.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.45  1.0
  Co  Co1  2  0.08  0.5  0.47  1.0
  Hg  Hg2  2  0.0  0.0  0.21  1.0
  Bi  Bi3  2  0.08  0.5  0.16  1.0

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