data_AlIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   138.1
_cell_angle_beta   116.75
_cell_angle_gamma   78.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2B
_chemical_formula_sum   'Al1 In2 B1'
_cell_volume   79.43
_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  0.98  1.0
  In  In2  1  0.84  0.0  0.64  1.0
  In  In3  1  0.0  0.7  0.35  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AlIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   63.25
_cell_angle_beta   69.05
_cell_angle_gamma   69.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2B
_chemical_formula_sum   'Al1 In2 B1'
_cell_volume   79.43
_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  0.98  0.0  0.02  1.0
  In  In1  1  0.35  0.0  0.36  1.0
  In  In2  1  0.79  0.84  0.36  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Al In In B