data_AlSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   140.78
_cell_angle_beta   114.31
_cell_angle_gamma   79.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2B
_chemical_formula_sum   'Al1 Sn2 B1'
_cell_volume   82.58
_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  0.07  1.0
  Sn  Sn2  1  0.0  0.86  0.46  1.0
  Sn  Sn3  1  0.77  0.0  0.6  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AlSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   65.69
_cell_angle_beta   70.39
_cell_angle_gamma   70.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2B
_chemical_formula_sum   'Al1 Sn2 B1'
_cell_volume   82.58
_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  0.07  0.0  0.93  1.0
  Sn  Sn1  1  0.46  0.0  0.4  1.0
  Sn  Sn2  1  0.83  0.77  0.4  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Al Sn Sn B