data_Al2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BiSe
_chemical_formula_sum   'Al2 Bi1 Se1'
_cell_volume   97.21
_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  0.83  0.0  0.08  1.0
  Al  Al1  1  0.0  0.0  0.46  1.0
  Bi  Bi2  1  0.83  0.0  0.04  1.0
  Se  Se3  1  0.0  0.0  0.65  1.0

data_Al2BiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BiSe
_chemical_formula_sum   'Al2 Bi1 Se1'
_cell_volume   97.21
_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  0.83  0.0  0.08  1.0
  Bi  Bi2  1  0.83  0.0  0.04  1.0
  Se  Se3  1  0.0  0.0  0.65  1.0

Al Al Bi Se