data_TePtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePtPb
_chemical_formula_sum   'Te4 Pt4 Pb4'
_cell_volume   306.55
_cell_formula_units_Z   4
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  0.86  0.88  0.25  1.0
  Te  Te1  1  0.88  0.25  0.86  1.0
  Te  Te2  1  0.25  0.86  0.88  1.0
  Te  Te3  1  0.49  0.49  0.49  1.0
  Pt  Pt4  1  0.31  0.43  0.06  1.0
  Pt  Pt5  1  0.43  0.06  0.31  1.0
  Pt  Pt6  1  0.06  0.31  0.43  1.0
  Pt  Pt7  1  0.68  0.68  0.68  1.0
  Pb  Pb8  1  0.88  0.87  0.5  1.0
  Pb  Pb9  1  0.87  0.5  0.88  1.0
  Pb  Pb10  1  0.5  0.88  0.87  1.0
  Pb  Pb11  1  0.25  0.25  0.25  1.0

data_TePtPb
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   11.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   TePtPb
_chemical_formula_sum   'Te12 Pt12 Pb12'
_cell_volume   919.65
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.2  0.41  0.66  1.0
  Te  Te1  3  0.0  0.0  0.49  1.0
  Pt  Pt2  9  0.05  0.21  0.27  1.0
  Pt  Pt3  3  0.0  0.0  0.68  1.0
  Pb  Pb4  9  0.08  0.55  0.41  1.0
  Pb  Pb5  3  0.0  0.0  0.25  1.0

Te Te Te Te Pt Pt Pt Pt Pb Pb Pb Pb
Te Te Te Te Pt Pt Pt Pt Pb Pb Pb Pb 0 8 o o o 1 9 o o o 2 10 o o o 3 7 o o o 4 11 o o o 5 11 o o o 6 11 o o o 7 10 o o o 7 9 o o o 7 8 o o o 