data_SbTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   148.04
_cell_angle_beta   148.04
_cell_angle_gamma   45.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe2Se
_chemical_formula_sum   'Sb1 Te2 Se1'
_cell_volume   120.7
_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  0.96  1.0
  Te  Te2  1  0.08  0.0  0.48  1.0
  Te  Te3  1  0.0  0.08  0.48  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_SbTe2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   112.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbTe2Se
_chemical_formula_sum   'Sb2 Te4 Se2'
_cell_volume   241.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.04  1.0
  Te  Te1  4  0.04  0.04  0.6  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Sb Te Te Se