data_AlAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   121.58
_cell_angle_beta   121.58
_cell_angle_gamma   87.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2W
_chemical_formula_sum   'Al1 As2 W1'
_cell_volume   64.69
_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  0.22  0.0  0.64  1.0
  As  As2  1  0.0  0.22  0.64  1.0
  W  W3  1  0.0  0.0  0.29  1.0

data_AlAs2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   133.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAs2W
_chemical_formula_sum   'Al2 As4 W2'
_cell_volume   129.37
_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  0.46  0.11  0.57  1.0
  W  W2  2  0.21  0.5  0.71  1.0

Al As As W