data_As2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.96
_cell_angle_alpha   96.01
_cell_angle_beta   96.01
_cell_angle_gamma   39.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2W
_chemical_formula_sum   'As4 W2'
_cell_volume   104.82
_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  0.66  0.0  0.38  1.0
  As  As1  1  0.89  0.0  0.65  1.0
  As  As2  1  0.07  0.0  0.95  1.0
  As  As3  1  0.47  0.0  0.8  1.0
  W  W4  1  0.7  0.0  0.73  1.0
  W  W5  1  0.95  0.0  0.1  1.0

data_As2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.86
_cell_length_c   6.96
_cell_angle_alpha   96.01
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2W
_chemical_formula_sum   'As4 W2'
_cell_volume   104.82
_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  0.11  0.35  1.0
  As  As1  1  0.0  0.34  0.62  1.0
  As  As2  1  0.0  0.53  0.2  1.0
  As  As3  1  0.0  0.93  0.05  1.0
  W  W4  1  0.0  0.05  0.9  1.0
  W  W5  1  0.0  0.3  0.27  1.0

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