data_[P2H2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1412]
_cell_length_b [6.2007]
_cell_length_c [6.8820]
_cell_angle_alpha [88.3691]
_cell_angle_beta [69.3697]
_cell_angle_gamma [76.4503]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PHI]
_chemical_formula_sum '[P2 H2 I2]'
_cell_volume [199.2574]
_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  0.0226  0.4250  0.1444  1.0
  H  H1  2  0.2821  0.5179  0.7484  1.0
  I  I2  2  0.0960  0.7717  0.2716  1.0
]