data_SiTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.43
_cell_angle_alpha   95.45
_cell_angle_beta   95.45
_cell_angle_gamma   31.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeBr2
_chemical_formula_sum   'Si1 Te1 Br2'
_cell_volume   133.93
_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
  Si  Si2  1  0.82  0.0  0.06  1.0
  Te  Te3  1  0.03  0.0  0.56  1.0
  Br  Br0  1  0.59  0.0  0.12  1.0
  Br  Br1  1  0.21  0.0  0.78  1.0

data_SiTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.43
_cell_length_c   6.92
_cell_angle_alpha   95.45
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeBr2
_chemical_formula_sum   'Si1 Te1 Br2'
_cell_volume   133.93
_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
  Si  Si0  1  0.0  0.06  0.82  1.0
  Te  Te1  1  0.0  0.56  0.03  1.0
  Br  Br2  1  0.0  0.12  0.59  1.0
  Br  Br3  1  0.0  0.78  0.21  1.0

Si Te Br Br