data_[P4H2Se2]
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 [P1]
_cell_length_a [5.6731]
_cell_length_b [5.7148]
_cell_length_c [6.2656]
_cell_angle_alpha [84.4304]
_cell_angle_beta [72.7019]
_cell_angle_gamma [71.2759]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [P2HSe]
_chemical_formula_sum '[P4 H2 Se2]'
_cell_volume [183.6803]
_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  1  0.1471  0.9260  0.4178  1.0
  P  P1  1  0.7574  0.5496  0.5008  1.0
  P  P2  1  0.8254  0.8839  0.3061  1.0
  P  P3  1  0.9139  0.0525  0.7706  1.0
  H  H4  1  0.0982  0.1689  0.7838  1.0
  H  H5  1  0.6358  0.6824  0.7074  1.0
  Se  Se6  1  0.0657  0.6974  0.9679  1.0
  Se  Se7  1  0.3959  0.5156  0.4313  1.0
]