data_Al2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.33
_cell_length_c   2.45
_cell_angle_alpha   85.25
_cell_angle_beta   73.05
_cell_angle_gamma   21.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2As
_chemical_formula_sum   'Al2 As1'
_cell_volume   30.67
_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  0.13  0.17  0.13  1.0
  Al  Al1  1  0.13  0.17  0.34  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_Al2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.27
_cell_length_b   2.45
_cell_length_c   6.33
_cell_angle_alpha   85.25
_cell_angle_beta   79.69
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2As
_chemical_formula_sum   'Al2 As1'
_cell_volume   30.67
_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  0.26  0.3  1.0
  Al  Al1  1  0.87  0.47  0.3  1.0
  As  As2  1  0.0  0.0  0.0  1.0

Al Al As