data_Sn3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   150.87
_cell_angle_beta   59.69
_cell_angle_gamma   129.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Te
_chemical_formula_sum   'Sn3 Te1'
_cell_volume   116.04
_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  0.27  0.93  1.0
  Sn  Sn1  1  0.7  0.6  0.02  1.0
  Sn  Sn2  1  0.0  0.0  0.74  1.0
  Te  Te3  1  0.7  0.0  0.99  1.0

data_Sn3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.81
_cell_length_c   6.77
_cell_angle_alpha   115.43
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Te
_chemical_formula_sum   'Sn3 Te1'
_cell_volume   116.04
_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  0.26  0.26  1.0
  Sn  Sn1  1  0.27  0.34  0.34  1.0
  Sn  Sn2  1  0.9  0.58  0.88  1.0
  Te  Te3  1  0.3  0.01  0.31  1.0

Sn Sn Sn Te