data_AlAs8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   94.45
_cell_angle_beta   94.45
_cell_angle_gamma   147.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs8
_chemical_formula_sum   'Al1 As8'
_cell_volume   218.94
_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  0.0  1.0
  As  As1  1  0.26  0.74  0.1  1.0
  As  As2  1  0.74  0.26  0.1  1.0
  As  As3  1  0.86  0.0  0.0  1.0
  As  As4  1  0.26  0.26  0.1  1.0
  As  As5  1  0.0  0.86  0.0  1.0
  As  As6  1  0.85  0.85  0.0  1.0
  As  As7  1  0.37  0.0  0.0  1.0
  As  As8  1  0.0  0.37  0.0  1.0

data_AlAs8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   14.46
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAs8
_chemical_formula_sum   'Al2 As16'
_cell_volume   437.87
_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  0.0  0.0  0.0  1.0
  As  As1  4  0.0  0.26  0.9  1.0
  As  As2  4  0.07  0.07  0.0  1.0
  As  As3  4  0.32  0.32  0.0  1.0
  As  As4  2  0.15  0.0  0.0  1.0
  As  As5  2  0.24  0.5  0.9  1.0

Al As As As As As As As As