data_AlInB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   152.25
_cell_angle_beta   152.25
_cell_angle_gamma   39.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInB
_chemical_formula_sum   'Al1 In1 B1'
_cell_volume   53.39
_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  0.51  1.0
  In  In2  1  0.0  0.0  0.71  1.0
  B  B1  1  0.0  0.0  0.38  1.0

data_AlInB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlInB
_chemical_formula_sum   'Al2 In2 B2'
_cell_volume   106.77
_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
  Al  Al0  2  0.01  0.5  0.51  1.0
  In  In1  2  0.21  0.5  0.71  1.0
  B  B2  2  0.38  0.0  0.38  1.0

Al In B