data_Sn2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Te3
_chemical_formula_sum   'Sn2 Te3'
_cell_volume   166.12
_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  Sn0  1  0.62  0.51  0.5  1.0
  Sn  Sn1  1  0.0  0.02  0.49  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.62  0.51  0.62  1.0
  Te  Te4  1  0.0  0.02  0.37  1.0

data_Sn2Te3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Te3
_chemical_formula_sum   'Sn2 Te3'
_cell_volume   166.12
_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  Sn0  1  0.0  0.02  0.49  1.0
  Sn  Sn1  1  0.62  0.51  0.5  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.02  0.37  1.0
  Te  Te4  1  0.62  0.51  0.62  1.0

Sn Sn Te Te Te
Sn Sn Te Te Te 0 3 o o o 1 4 o o o 2 4 o o o 