data_Hg2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   123.12
_cell_angle_beta   123.12
_cell_angle_gamma   84.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePb
_chemical_formula_sum   'Hg2 Te1 Pb1'
_cell_volume   120.52
_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  0.69  0.0  0.09  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.69  0.09  1.0

data_Hg2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.64
_cell_angle_alpha   118.44
_cell_angle_beta   118.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePb
_chemical_formula_sum   'Hg2 Te1 Pb1'
_cell_volume   120.52
_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  0.83  0.0  0.83  1.0
  Hg  Hg1  1  0.91  0.0  0.6  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.6  0.69  0.6  1.0

Hg Hg Te Pb