data_As3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3W
_chemical_formula_sum   'As12 W4'
_cell_volume   283.21
_cell_formula_units_Z   4
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
  As  As0  1  0.56  0.5  0.9  1.0
  As  As1  1  0.56  0.5  0.0  1.0
  As  As2  1  0.44  0.5  0.9  1.0
  As  As3  1  0.89  0.0  0.9  1.0
  As  As4  1  0.89  0.0  0.0  1.0
  As  As5  1  0.44  0.5  0.0  1.0
  As  As6  1  0.57  0.24  0.35  1.0
  As  As7  1  0.32  0.76  0.45  1.0
  As  As8  1  0.43  0.24  0.35  1.0
  As  As9  1  0.0  0.53  0.35  1.0
  As  As10  1  0.89  0.48  0.45  1.0
  As  As11  1  0.45  0.76  0.45  1.0
  W  W12  1  0.0  0.0  0.9  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  W  W14  1  0.89  0.67  0.35  1.0
  W  W15  1  0.0  0.34  0.45  1.0

data_As3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3W
_chemical_formula_sum   'As12 W4'
_cell_volume   283.21
_cell_formula_units_Z   4
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
  As  As0  1  -0.0  0.53  0.35  1.0
  As  As1  1  0.32  0.76  0.45  1.0
  As  As2  1  0.43  0.24  0.35  1.0
  As  As3  1  0.44  0.5  0.0  1.0
  As  As4  1  0.44  0.5  0.9  1.0
  As  As5  1  0.45  0.76  0.45  1.0
  As  As6  1  0.56  0.5  0.0  1.0
  As  As7  1  0.56  0.5  0.9  1.0
  As  As8  1  0.57  0.24  0.35  1.0
  As  As9  1  0.89  0.0  0.0  1.0
  As  As10  1  0.89  0.0  0.9  1.0
  As  As11  1  0.89  0.48  0.45  1.0
  W  W12  1  -0.0  0.34  0.45  1.0
  W  W13  1  0.0  0.0  0.0  1.0
  W  W14  1  0.0  0.0  0.9  1.0
  W  W15  1  0.89  0.67  0.35  1.0

As As As As As As As As As As As As W W W W