data_AlTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.68
_cell_angle_alpha   101.23
_cell_angle_beta   101.23
_cell_angle_gamma   36.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Br
_chemical_formula_sum   'Al1 Te2 Br1'
_cell_volume   117.92
_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  0.0  0.0  1.0
  Te  Te2  1  0.64  0.0  0.71  1.0
  Te  Te3  1  0.59  0.0  0.85  1.0
  Br  Br1  1  0.11  0.0  0.78  1.0

data_AlTe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.68
_cell_length_c   5.99
_cell_angle_alpha   101.23
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Br
_chemical_formula_sum   'Al1 Te2 Br1'
_cell_volume   117.92
_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  0.0  0.0  1.0
  Te  Te1  1  0.0  0.71  0.64  1.0
  Te  Te2  1  0.0  0.85  0.59  1.0
  Br  Br3  1  0.0  0.78  0.11  1.0

Al Te Te Br
Al Te Te Br 0 3 o o - 1 2 o o o 