data_As2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2W
_chemical_formula_sum   'As4 W2'
_cell_volume   102.55
_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
  As  As0  1  0.0  0.0  0.74  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.32  0.34  0.12  1.0
  As  As3  1  0.0  0.68  0.37  1.0
  W  W4  1  0.0  0.68  0.12  1.0
  W  W5  1  0.32  0.34  0.37  1.0

data_As2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2W
_chemical_formula_sum   'As4 W2'
_cell_volume   102.55
_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
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.74  1.0
  As  As2  1  0.0  0.68  0.37  1.0
  As  As3  1  0.32  0.34  0.12  1.0
  W  W4  1  0.0  0.68  0.12  1.0
  W  W5  1  0.32  0.34  0.37  1.0

As As As As W W
As As As As W W 0 1 o o + 1 4 o - o 1 2 o o o 2 5 o o o 3 4 o o o 