data_[As4H4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [10.6252]
_cell_length_b [8.1466]
_cell_length_c [5.5445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [AsHSe2]
_chemical_formula_sum '[As4 H4 Se8]'
_cell_volume [479.9320]
_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
[
  As  As0  4  0.0528  0.8587  0.3724  1.0
  H  H1  4  0.0076  0.4507  0.1379  1.0
  Se  Se2  4  0.0957  0.3598  0.9719  1.0
  Se  Se3  4  0.1223  0.9658  0.7680  1.0
]