data_AlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2
_chemical_formula_sum   'Al2 As4'
_cell_volume   128.91
_cell_formula_units_Z   2
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  0.64  1.0
  Al  Al1  1  0.0  0.0  0.55  1.0
  As  As2  1  0.0  0.21  0.0  1.0
  As  As3  1  0.91  0.1  0.91  1.0
  As  As4  1  0.91  0.1  0.18  1.0
  As  As5  1  0.0  0.21  0.28  1.0

data_AlAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2
_chemical_formula_sum   'Al2 As4'
_cell_volume   128.91
_cell_formula_units_Z   2
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  0.55  1.0
  Al  Al1  1  0.0  0.0  0.64  1.0
  As  As2  1  -0.0  0.21  0.0  1.0
  As  As3  1  -0.0  0.21  0.28  1.0
  As  As4  1  0.91  0.1  0.18  1.0
  As  As5  1  0.91  0.1  0.91  1.0

Al Al As As As As