data_Al2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.28
_cell_angle_alpha   106.83
_cell_angle_beta   106.83
_cell_angle_gamma   124.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InB
_chemical_formula_sum   'Al2 In1 B1'
_cell_volume   68.76
_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  0.31  0.52  0.28  1.0
  Al  Al1  1  0.31  0.48  0.28  1.0
  In  In3  1  0.66  0.0  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_Al2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.16
_cell_length_c   5.69
_cell_angle_alpha   111.35
_cell_angle_beta   106.62
_cell_angle_gamma   90.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InB
_chemical_formula_sum   'Al2 In1 B1'
_cell_volume   68.76
_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  0.2  0.69  0.17  1.0
  Al  Al1  1  0.24  0.69  0.21  1.0
  In  In2  1  0.0  0.34  0.34  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Al Al In B
Al Al In B 0 1 o o o 0 2 o + + 0 3 o o o 1 2 o + + 1 3 o o o 2 3 + o o 