data_InPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   144.35
_cell_angle_beta   122.62
_cell_angle_gamma   69.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPW2
_chemical_formula_sum   'In1 P1 W2'
_cell_volume   67.36
_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
  In  In0  1  0.0  0.0  0.26  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.59  0.0  0.76  1.0
  W  W3  1  0.0  0.49  0.5  1.0

data_InPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.98
_cell_length_c   5.19
_cell_angle_alpha   118.69
_cell_angle_beta   107.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPW2
_chemical_formula_sum   'In1 P1 W2'
_cell_volume   67.36
_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
  In  In0  1  0.74  0.74  0.74  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.5  0.99  0.99  1.0
  W  W3  1  0.82  0.24  0.82  1.0

In P W W