data_[K2H6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6506]
_cell_length_b [9.2241]
_cell_length_c [4.9899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [KH3Se]
_chemical_formula_sum '[K2 H6 Se2]'
_cell_volume [214.0552]
_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
[
  K  K0  2  0.0000  0.1881  0.7807  1.0
  H  H1  2  0.5000  0.0382  0.4218  1.0
  H  H2  2  0.5000  0.4093  0.7057  1.0
  H  H3  2  0.5000  0.4687  0.8096  1.0
  Se  Se4  2  0.5000  0.1823  0.2822  1.0
]