data_TePt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.78
_cell_angle_alpha   106.48
_cell_angle_beta   106.48
_cell_angle_gamma   57.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt2Pb
_chemical_formula_sum   'Te1 Pt2 Pb1'
_cell_volume   89.9
_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  Pt1  1  0.8  0.0  0.5  1.0
  Pt  Pt2  1  0.14  0.0  0.91  1.0
  Pb  Pb0  1  0.47  0.0  0.21  1.0

data_TePt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.07
_cell_length_c   6.78
_cell_angle_alpha   106.48
_cell_angle_beta   90.0
_cell_angle_gamma   118.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt2Pb
_chemical_formula_sum   'Te1 Pt2 Pb1'
_cell_volume   89.9
_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  Te0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.2  0.5  1.0
  Pt  Pt2  1  0.0  0.86  0.09  1.0
  Pb  Pb3  1  0.0  0.53  0.79  1.0

Te Pt Pt Pb