data_Hg2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   7.3
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   53.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePb
_chemical_formula_sum   'Hg2 Te1 Pb1'
_cell_volume   132.67
_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  0.64  0.0  0.86  1.0
  Hg  Hg1  1  0.63  0.0  0.37  1.0
  Te  Te3  1  0.04  0.0  0.87  1.0
  Pb  Pb2  1  0.22  0.0  0.43  1.0

data_Hg2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.85
_cell_length_c   7.3
_cell_angle_alpha   104.4
_cell_angle_beta   90.0
_cell_angle_gamma   116.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TePb
_chemical_formula_sum   'Hg2 Te1 Pb1'
_cell_volume   132.67
_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  0.0  0.36  0.14  1.0
  Hg  Hg1  1  0.0  0.37  0.63  1.0
  Te  Te2  1  0.0  0.96  0.13  1.0
  Pb  Pb3  1  0.0  0.78  0.57  1.0

Hg Hg Te Pb