data_Sn(SbTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   32.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn(SbTe2)2
_chemical_formula_sum   'Sn1 Sb2 Te4'
_cell_volume   536.14
_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
  Sn  Sn2  1  0.33  0.67  0.87  1.0
  Sb  Sb0  1  1.0  0.0  0.75  1.0
  Sb  Sb1  1  0.67  0.33  0.99  1.0
  Te  Te3  1  0.33  0.67  0.7  1.0
  Te  Te4  1  0.33  0.67  0.04  1.0
  Te  Te5  1  0.0  1.0  0.93  1.0
  Te  Te6  1  0.67  0.33  0.81  1.0

Sn Sb Sb Te Te Te Te 0 6 - o o 0 6 o + o 0 6 o o o 0 5 o o o 0 5 o - o 0 5 + o o 1 3 o - o 1 3 + - o 1 3 + o o 1 6 o o o 1 6 o - o 1 6 + o o 2 5 o - o 2 5 + - o 2 5 + o o 2 4 o o + 2 4 o - + 2 4 + o + 
data_Sn(SbTe2)2
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   32.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   Sn(SbTe2)2
_chemical_formula_sum   'Sn1 Sb2 Te4'
_cell_volume   536.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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  0.0  0.0  0.5  1.0
  Sb  Sb1  2  0.33  0.67  0.62  1.0
  Te  Te2  2  0.0  0.0  0.33  1.0
  Te  Te3  2  0.33  0.67  0.44  1.0
