data_[Al4As2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2707]
_cell_length_b [2.9178]
_cell_length_c [4.7826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2AsW]
_chemical_formula_sum '[Al4 As2 W2]'
_cell_volume [128.6091]
_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  2  0.0096  0.0000  0.0105  1
  Al  Al1  2  0.2586  0.0000  0.7616  1
  As  As2  2  0.4824  0.0000  0.4802  1
  W  W3  2  0.2493  0.5000  0.2476  1
]