data_HgTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   5.08
_cell_angle_alpha   111.08
_cell_angle_beta   111.08
_cell_angle_gamma   35.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTe2Pb
_chemical_formula_sum   'Hg1 Te2 Pb1'
_cell_volume   120.95
_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  0.0  1.0
  Te  Te2  1  0.1  0.0  0.23  1.0
  Te  Te3  1  0.58  0.0  0.47  1.0
  Pb  Pb1  1  0.34  0.0  0.35  1.0

data_HgTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.08
_cell_length_c   6.62
_cell_angle_alpha   111.08
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTe2Pb
_chemical_formula_sum   'Hg1 Te2 Pb1'
_cell_volume   120.95
_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  0.0  1.0
  Te  Te1  1  0.0  0.23  0.1  1.0
  Te  Te2  1  0.0  0.47  0.58  1.0
  Pb  Pb3  1  0.0  0.35  0.34  1.0

Hg Te Te Pb