data_Al2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   138.46
_cell_angle_beta   138.46
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InBr
_chemical_formula_sum   'Al2 In1 Br1'
_cell_volume   98.99
_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
  Al  Al1  1  0.16  0.0  0.64  1.0
  In  In3  1  0.0  0.16  0.64  1.0
  Br  Br2  1  0.0  0.0  0.28  1.0

data_Al2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.1
_cell_angle_alpha   110.77
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InBr
_chemical_formula_sum   'Al2 In1 Br1'
_cell_volume   98.99
_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
  Al  Al1  1  0.36  0.0  0.52  1.0
  In  In2  1  0.52  0.16  0.52  1.0
  Br  Br3  1  0.72  0.0  0.72  1.0

Al Al In Br
Al Al In Br 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 