data_TaHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Bi
_chemical_formula_sum   'Ta1 Hg2 Bi1'
_cell_volume   101.2
_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
  Ta  Ta3  1  0.0  0.0  0.35  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  Hg  Hg2  1  0.04  0.0  0.4  1.0
  Bi  Bi0  1  0.04  0.0  0.11  1.0

data_TaHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Bi
_chemical_formula_sum   'Ta1 Hg2 Bi1'
_cell_volume   101.2
_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
  Ta  Ta0  1  0.0  0.0  0.35  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  Hg  Hg2  1  0.04  0.0  0.4  1.0
  Bi  Bi3  1  0.04  0.0  0.11  1.0

Ta Hg Hg Bi