data_SnTePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTePt
_chemical_formula_sum   'Sn4 Te4 Pt4'
_cell_volume   287.27
_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
  Sn  Sn0  1  0.76  0.83  0.13  1.0
  Sn  Sn1  1  0.83  0.13  0.76  1.0
  Sn  Sn2  1  0.13  0.76  0.83  1.0
  Sn  Sn3  1  0.46  0.46  0.46  1.0
  Te  Te4  1  0.83  0.76  0.47  1.0
  Te  Te5  1  0.76  0.47  0.83  1.0
  Te  Te6  1  0.47  0.83  0.76  1.0
  Te  Te7  1  0.13  0.13  0.13  1.0
  Pt  Pt8  1  0.29  0.31  0.01  1.0
  Pt  Pt9  1  0.31  0.01  0.29  1.0
  Pt  Pt10  1  0.01  0.29  0.31  1.0
  Pt  Pt11  1  0.59  0.59  0.59  1.0

data_SnTePt
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   11.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SnTePt
_chemical_formula_sum   'Sn12 Te12 Pt12'
_cell_volume   861.8
_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
  Sn  Sn0  9  0.19  0.44  0.58  1.0
  Sn  Sn1  3  0.0  0.0  0.46  1.0
  Te  Te2  9  0.08  0.85  0.69  1.0
  Te  Te3  3  0.0  0.0  0.13  1.0
  Pt  Pt4  9  0.08  0.19  0.2  1.0
  Pt  Pt5  3  0.0  0.0  0.59  1.0

Sn Sn Sn Sn Te Te Te Te Pt Pt Pt Pt