data_[Na4H4Se8]
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 [Cc]
_cell_length_a [6.4094]
_cell_length_b [8.7009]
_cell_length_c [7.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaHSe2]
_chemical_formula_sum '[Na4 H4 Se8]'
_cell_volume [429.3578]
_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
[
  Na  Na0  4  0.2087  0.1330  0.4413  1.0
  H  H1  4  0.1587  0.4849  0.1592  1.0
  Se  Se2  4  0.0475  0.1574  0.0794  1.0
  Se  Se3  4  0.2072  0.3974  0.9995  1.0
]