data_[Sb2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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 [4.4772]
_cell_length_b [5.7869]
_cell_length_c [5.8827]
_cell_angle_alpha [76.2453]
_cell_angle_beta [72.3112]
_cell_angle_gamma [74.6107]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbHSe]
_chemical_formula_sum '[Sb2 H2 Se2]'
_cell_volume [137.9390]
_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
[
  Sb  Sb0  2  0.1867  0.2162  0.2252  1
  H  H1  2  0.2025  0.6227  0.7929  1
  Se  Se2  2  0.0225  0.1942  0.7028  1
]