[CIF]
data_AlAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74069169
_cell_length_b   5.29159567
_cell_length_c   3.77191244
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs
_chemical_formula_sum   'Al2 As2'
_cell_volume   74.66209459
_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  0.00000000  0.00000000  2.87598056  1
  Al  Al1  1  1.87034585  2.64579784  0.89593188  1
  As  As2  1  0.00000000  2.64579784  2.78935075  1
  As  As3  1  1.87034585  0.00000000  0.98256169  1
[/CIF]
