data_Hg2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   4.98
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiCl
_chemical_formula_sum   'Hg2 Bi1 Cl1'
_cell_volume   108.4
_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  Hg2  1  0.71  0.49  0.3  1.0
  Hg  Hg3  1  0.0  0.0  0.64  1.0
  Bi  Bi0  1  0.71  0.49  0.16  1.0
  Cl  Cl1  1  0.0  0.0  0.78  1.0

data_Hg2BiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.98
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiCl
_chemical_formula_sum   'Hg2 Bi1 Cl1'
_cell_volume   108.4
_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  0.0  0.64  1.0
  Hg  Hg1  1  0.71  0.49  0.3  1.0
  Bi  Bi2  1  0.71  0.49  0.16  1.0
  Cl  Cl3  1  0.0  0.0  0.78  1.0

Hg Hg Bi Cl
Hg Hg Bi Cl 0 2 o o o 1 3 o o o 