data_[P2H6Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6743]
_cell_length_b [4.8109]
_cell_length_c [6.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PH3Se]
_chemical_formula_sum '[P2 H6 Se2]'
_cell_volume [169.5997]
_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  0.3249  0.7692  0.7284  1.0
  H  H1  2  0.2059  0.8895  0.8933  1.0
  H  H2  2  0.2165  0.8967  0.5347  1.0
  H  H3  2  0.2412  0.4949  0.7153  1.0
  Se  Se4  2  0.2996  0.3284  0.2180  1.0
]