data_TePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt2
_chemical_formula_sum   'Te8 Pt16'
_cell_volume   519.31
_cell_formula_units_Z   8
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  Te16  1  0.78  0.78  0.98  1.0
  Te  Te17  1  0.98  0.98  0.98  1.0
  Te  Te18  1  0.78  0.98  0.78  1.0
  Te  Te19  1  0.98  0.78  0.78  1.0
  Te  Te20  1  0.17  0.17  0.97  1.0
  Te  Te21  1  0.97  0.97  0.97  1.0
  Te  Te22  1  0.17  0.97  0.17  1.0
  Te  Te23  1  0.97  0.17  0.17  1.0
  Pt  Pt0  1  0.59  0.78  0.78  1.0
  Pt  Pt1  1  0.78  0.59  0.78  1.0
  Pt  Pt2  1  0.59  0.59  0.59  1.0
  Pt  Pt3  1  0.78  0.78  0.59  1.0
  Pt  Pt4  1  0.19  0.19  0.14  1.0
  Pt  Pt5  1  0.24  0.19  0.19  1.0
  Pt  Pt6  1  0.19  0.24  0.19  1.0
  Pt  Pt7  1  0.19  0.14  0.19  1.0
  Pt  Pt8  1  0.14  0.19  0.19  1.0
  Pt  Pt9  1  0.19  0.19  0.24  1.0
  Pt  Pt10  1  0.38  0.38  0.81  1.0
  Pt  Pt11  1  0.95  0.38  0.38  1.0
  Pt  Pt12  1  0.38  0.95  0.38  1.0
  Pt  Pt13  1  0.38  0.81  0.38  1.0
  Pt  Pt14  1  0.81  0.38  0.38  1.0
  Pt  Pt15  1  0.38  0.38  0.95  1.0

data_TePt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   22.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TePt2
_chemical_formula_sum   'Te24 Pt48'
_cell_volume   1557.94
_cell_formula_units_Z   24
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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  0.07  0.13  0.15  1.0
  Te  Te1  9  0.13  0.07  0.9  1.0
  Te  Te2  3  0.0  0.0  0.02  1.0
  Te  Te3  3  0.0  0.0  0.03  1.0
  Pt  Pt4  9  0.02  0.04  0.79  1.0
  Pt  Pt5  9  0.04  0.02  0.83  1.0
  Pt  Pt6  9  0.04  0.52  0.14  1.0
  Pt  Pt7  9  0.13  0.06  0.28  1.0
  Pt  Pt8  9  0.19  0.81  0.43  1.0
  Pt  Pt9  3  0.0  0.0  0.41  1.0

Te Te Te Te Te Te Te Te Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Te Te Te Te Te Te Te Te Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 3 o o o 0 2 o o o 1 5 o o o 2 3 o o o 4 6 o - + 4 16 o o + 4 7 - o + 4 15 o o + 4 12 o o + 6 7 - + o 6 16 o + o 6 15 o + o 6 12 o + o 7 15 + o o 7 16 + o o 7 12 + o o 8 9 o o o 8 11 o o o 8 10 o o o 9 11 o o o 9 10 o o o 10 23 o o o 10 18 o o o 10 21 o o o 10 20 o o o 10 22 o o o 10 19 o o o 10 11 o o o 12 15 o o o 12 16 o o o 13 17 o o o 13 14 o o o 14 17 o o o 15 16 o o o 18 23 o o o 19 22 o o o 20 21 o o o 