data_AsPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.53
_cell_angle_alpha   105.33
_cell_angle_beta   105.33
_cell_angle_gamma   40.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPW2
_chemical_formula_sum   'As1 P1 W2'
_cell_volume   59.89
_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
  As  As0  1  0.66  0.0  0.35  1.0
  P  P1  1  0.19  0.0  0.85  1.0
  W  W2  1  0.0  0.0  0.29  1.0
  W  W3  1  0.22  0.0  0.02  1.0

data_AsPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.53
_cell_length_c   4.61
_cell_angle_alpha   105.33
_cell_angle_beta   110.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPW2
_chemical_formula_sum   'As1 P1 W2'
_cell_volume   59.89
_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
  As  As0  1  0.0  0.35  0.66  1.0
  P  P1  1  0.0  0.85  0.19  1.0
  W  W2  1  0.0  0.02  0.22  1.0
  W  W3  1  0.0  0.29  0.0  1.0

As P W W