data_[P2W2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4731]
_cell_length_b [3.6665]
_cell_length_c [18.5222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PWI2]
_chemical_formula_sum '[P2 W2 I4]'
_cell_volume [982.9053]
_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
[
  P  P0  2  0.0402  0.5000  0.5739  1
  W  W1  2  0.0991  0.0000  0.5129  1
  I  I2  2  0.0310  0.0000  0.3837  1
  I  I3  2  0.2764  0.0000  0.5295  1
]