data_[As2H2Se2]
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 [P-1]
_cell_length_a [3.7649]
_cell_length_b [6.2849]
_cell_length_c [6.4260]
_cell_angle_alpha [90.6936]
_cell_angle_beta [92.2562]
_cell_angle_gamma [102.3410]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsHSe]
_chemical_formula_sum '[As2 H2 Se2]'
_cell_volume [148.3912]
_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  2  0.2237  0.4477  0.3747  1.0
  H  H1  2  0.0155  0.7501  0.0848  1.0
  Se  Se2  2  0.3673  0.8023  0.2099  1.0
]