data_Al2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   150.32
_cell_angle_beta   149.61
_cell_angle_gamma   43.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BSe
_chemical_formula_sum   'Al2 B1 Se1'
_cell_volume   61.74
_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  0.46  1.0
  Al  Al1  1  0.0  0.64  0.07  1.0
  B  B2  1  0.0  0.0  0.34  1.0
  Se  Se3  1  0.61  0.0  0.48  1.0

data_Al2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.29
_cell_length_c   6.28
_cell_angle_alpha   105.19
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BSe
_chemical_formula_sum   'Al2 B1 Se1'
_cell_volume   61.74
_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  0.46  0.46  1.0
  Al  Al1  1  0.36  0.43  0.43  1.0
  B  B2  1  0.0  0.34  0.34  1.0
  Se  Se3  1  0.0  0.48  0.87  1.0

Al Al B Se