data_[P4H16Se4]
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 [C2/m]
_cell_length_a [12.3376]
_cell_length_b [6.6714]
_cell_length_c [4.7517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PH4Se]
_chemical_formula_sum '[P4 H16 Se4]'
_cell_volume [376.9844]
_cell_formula_units_Z [4]
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  4  0.1979  0.5000  0.6097  1.0
  H  H1  8  0.1270  0.3330  0.6150  1.0
  H  H2  4  0.0000  0.4432  0.0000  1.0
  H  H3  4  0.2084  0.5000  0.3190  1.0
  Se  Se4  4  0.1440  0.0000  0.0645  1.0
]