data_TaHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.66
_cell_angle_alpha   97.4
_cell_angle_beta   97.4
_cell_angle_gamma   31.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgPb2
_chemical_formula_sum   'Ta1 Hg1 Pb2'
_cell_volume   97.13
_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  0.0  1.0
  Hg  Hg0  1  0.13  0.0  0.8  1.0
  Pb  Pb1  1  0.34  0.0  0.27  1.0
  Pb  Pb2  1  0.93  0.0  0.33  1.0

data_TaHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.66
_cell_length_c   5.73
_cell_angle_alpha   97.4
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgPb2
_chemical_formula_sum   'Ta1 Hg1 Pb2'
_cell_volume   97.13
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.8  0.13  1.0
  Pb  Pb2  1  0.0  0.27  0.34  1.0
  Pb  Pb3  1  0.0  0.33  0.93  1.0

Ta Hg Pb Pb