data_[P2H6S8]
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 [Pmn2_1]
_cell_length_a [10.0387]
_cell_length_b [5.9444]
_cell_length_c [6.6464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PH3S4]
_chemical_formula_sum '[P2 H6 S8]'
_cell_volume [396.6181]
_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  0.0000  0.8165  0.0413  1.0
  H  H1  4  0.1472  0.4743  0.9315  1.0
  H  H2  2  0.0000  0.8745  0.4200  1.0
  S  S3  4  0.1712  0.6961  0.8945  1.0
  S  S4  2  0.0000  0.1436  0.0379  1.0
  S  S5  2  0.0000  0.6690  0.3336  1.0
]