data_Sb5Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Te
_chemical_formula_sum   'Sb5 Te1'
_cell_volume   181.09
_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
  Sb  Sb0  1  0.04  0.76  0.0  1.0
  Sb  Sb1  1  0.0  0.51  0.0  1.0
  Sb  Sb2  1  0.48  0.63  0.83  1.0
  Sb  Sb3  1  0.52  0.63  0.83  1.0
  Sb  Sb4  1  0.04  0.0  0.83  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_Sb5Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Te
_chemical_formula_sum   'Sb5 Te1'
_cell_volume   181.09
_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
  Sb  Sb0  1  0.0  -0.0  0.51  1.0
  Sb  Sb1  1  0.0  0.04  0.76  1.0
  Sb  Sb2  1  0.83  0.04  0.0  1.0
  Sb  Sb3  1  0.83  0.48  0.63  1.0
  Sb  Sb4  1  0.83  0.52  0.63  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

Sb Sb Sb Sb Sb Te