data_[As2H2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3821]
_cell_length_b [5.7398]
_cell_length_c [8.5014]
_cell_angle_alpha [96.5818]
_cell_angle_beta [103.9716]
_cell_angle_gamma [90.0096]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AsHS2]
_chemical_formula_sum '[As2 H2 S4]'
_cell_volume [206.0498]
_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
[
  As  As0  1  0.3217  0.9258  0.3671  1.0
  As  As1  1  0.8800  0.4117  0.4913  1.0
  H  H2  1  0.0315  0.6159  0.1209  1.0
  H  H3  1  0.8198  0.7217  0.7371  1.0
  S  S4  1  0.0759  0.0634  0.5706  1.0
  S  S5  1  0.4435  0.2739  0.2877  1.0
  S  S6  1  0.6777  0.5064  0.7144  1.0
  S  S7  1  0.9103  0.8310  0.1440  1.0
]