data_[P4S8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8890]
_cell_length_b [6.7941]
_cell_length_c [11.4014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PS2F]
_chemical_formula_sum '[P4 S8 F4]'
_cell_volume [404.9157]
_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  0.2893  0.5060  0.0442  1
  S  S1  4  0.0002  0.7021  0.9416  1
  S  S2  4  0.4179  0.2141  0.4667  1
  F  F3  4  0.4305  0.5274  0.2028  1
]