data_SbTeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   149.33
_cell_angle_beta   149.33
_cell_angle_gamma   43.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeBr
_chemical_formula_sum   'Sb1 Te1 Br1'
_cell_volume   92.95
_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  Sb1  1  0.0  0.0  0.28  1.0
  Te  Te2  1  0.0  0.0  0.22  1.0
  Br  Br0  1  0.0  0.0  0.84  1.0

data_SbTeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   111.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbTeBr
_chemical_formula_sum   'Sb2 Te2 Br2'
_cell_volume   185.9
_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  0.72  1.0
  Te  Te1  2  0.0  0.0  0.78  1.0
  Br  Br2  2  0.0  0.0  0.16  1.0

Sb Te Br