data_TePtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   32.24
_cell_angle_beta   32.24
_cell_angle_gamma   32.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePtPb2
_chemical_formula_sum   'Te1 Pt1 Pb2'
_cell_volume   113.04
_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
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.86  1.0
  Pb  Pb0  1  0.0  0.0  0.59  1.0
  Pb  Pb1  1  0.0  0.0  0.14  1.0

data_TePtPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.35
_cell_length_b   4.25
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   108.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TePtPb2
_chemical_formula_sum   'Te2 Pt2 Pb4'
_cell_volume   226.09
_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
  Te  Te0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.14  1.0
  Pb  Pb2  2  0.0  0.0  0.41  1.0
  Pb  Pb3  2  0.0  0.0  0.86  1.0

Te Pt Pb Pb