data_Al2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   149.96
_cell_angle_beta   149.9
_cell_angle_gamma   43.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AsSe
_chemical_formula_sum   'Al2 As1 Se1'
_cell_volume   78.39
_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  0.39  1.0
  Al  Al1  1  0.76  0.0  0.81  1.0
  As  As2  1  0.0  0.0  0.8  1.0
  Se  Se3  1  0.0  0.76  0.63  1.0

data_Al2AsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.53
_cell_length_c   6.79
_cell_angle_alpha   105.05
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AsSe
_chemical_formula_sum   'Al2 As1 Se1'
_cell_volume   78.39
_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  0.39  0.39  1.0
  Al  Al1  1  0.0  0.81  0.05  1.0
  As  As2  1  0.0  0.8  0.8  1.0
  Se  Se3  1  0.24  0.87  0.87  1.0

Al Al As Se