data_[Na2H2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4986]
_cell_length_b [4.4131]
_cell_length_c [6.1876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2H2Se3]
_chemical_formula_sum '[Na2 H2 Se3]'
_cell_volume [147.5831]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.2125  0.5000  0.2949  1.0
  H  H1  2  0.4741  0.0000  0.1825  1.0
  Se  Se2  2  0.2738  0.0000  0.6726  1.0
  Se  Se3  1  0.0000  0.0000  0.0000  1.0
]