data_TiHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.39
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2Bi
_chemical_formula_sum   'Ti1 Hg2 Bi1'
_cell_volume   93.03
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.69  0.2  0.83  1.0
  Hg  Hg2  1  0.69  0.2  0.42  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0

data_TiHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.39
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2Bi
_chemical_formula_sum   'Ti1 Hg2 Bi1'
_cell_volume   93.03
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.69  0.2  0.42  1.0
  Hg  Hg2  1  0.69  0.2  0.83  1.0
  Bi  Bi3  1  0.0  0.0  0.13  1.0

Ti Hg Hg Bi