data_HgTePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.32
_cell_length_c   3.42
_cell_angle_alpha   81.92
_cell_angle_beta   74.71
_cell_angle_gamma   23.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTePb
_chemical_formula_sum   'Hg1 Te1 Pb1'
_cell_volume   89.67
_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  1.0  0.78  0.15  1.0
  Te  Te2  1  1.0  0.78  0.35  1.0
  Pb  Pb1  1  1.0  0.78  0.81  1.0

data_HgTePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   16.15
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   125.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgTePb
_chemical_formula_sum   'Hg2 Te2 Pb2'
_cell_volume   179.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.5  0.15  1.0
  Te  Te1  2  0.5  0.5  0.35  1.0
  Pb  Pb2  2  0.5  0.5  0.81  1.0

Hg Te Pb