data_AlBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   6.95
_cell_length_c   3.67
_cell_angle_alpha   82.14
_cell_angle_beta   68.44
_cell_angle_gamma   29.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiSe
_chemical_formula_sum   'Al1 Bi1 Se1'
_cell_volume   79.12
_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  0.87  0.16  0.26  1.0
  Bi  Bi1  1  0.87  0.16  0.65  1.0
  Se  Se2  1  0.87  0.16  0.49  1.0

data_AlBiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.74
_cell_length_b   13.4
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   120.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlBiSe
_chemical_formula_sum   'Al2 Bi2 Se2'
_cell_volume   158.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.37  0.5  0.13  1.0
  Bi  Bi1  2  0.37  0.5  0.52  1.0
  Se  Se2  2  0.37  0.5  0.36  1.0

Al Bi Se