data_SnTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   131.91
_cell_angle_beta   131.91
_cell_angle_gamma   70.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTePb2
_chemical_formula_sum   'Sn1 Te1 Pb2'
_cell_volume   121.76
_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
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.97  1.0
  Pb  Pb0  1  0.0  0.48  0.48  1.0
  Pb  Pb1  1  0.48  0.0  0.48  1.0

data_SnTePb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   125.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnTePb2
_chemical_formula_sum   'Sn2 Te2 Pb4'
_cell_volume   243.52
_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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.97  1.0
  Pb  Pb2  4  0.26  0.26  0.01  1.0

Sn Te Pb Pb
Sn Te Pb Pb 0 1 o o - 0 2 o - - 0 2 o o o 0 3 o o o 0 3 - o - 1 2 o - o 1 2 o o + 1 3 o o + 1 3 - o o 