data_AlTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   3.56
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeBr2
_chemical_formula_sum   'Al1 Te1 Br2'
_cell_volume   124.62
_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
  Al  Al0  1  0.04  0.0  0.98  1.0
  Te  Te3  1  0.15  0.78  0.91  1.0
  Br  Br1  1  0.75  0.78  0.53  1.0
  Br  Br2  1  0.79  0.0  0.64  1.0

data_AlTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.21
_cell_length_c   7.06
_cell_angle_alpha   108.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeBr2
_chemical_formula_sum   'Al1 Te1 Br2'
_cell_volume   124.62
_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
  Al  Al0  1  0.0  0.96  0.02  1.0
  Te  Te1  1  0.22  0.85  0.09  1.0
  Br  Br2  1  0.0  0.21  0.36  1.0
  Br  Br3  1  0.22  0.25  0.47  1.0

Al Te Br Br