data_[P4H16S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3427]
_cell_length_b [6.4774]
_cell_length_c [4.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PH4S]
_chemical_formula_sum '[P4 H16 S4]'
_cell_volume [356.9405]
_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  0.2001  0.5000  0.6158  1.0
  H  H1  8  0.1269  0.3284  0.6064  1.0
  H  H2  4  0.0000  0.4416  0.0000  1.0
  H  H3  4  0.2110  0.5000  0.3231  1.0
  S  S4  4  0.1541  0.0000  0.0588  1.0
]