data_[K2Ti2H2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1674]
_cell_length_b [3.7072]
_cell_length_c [8.9341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiHSe2]
_chemical_formula_sum '[K2 Ti2 H2 Se4]'
_cell_volume [225.5144]
_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  0.3374  0.7500  0.6987  1.0
  Ti  Ti1  2  0.1494  0.7500  0.1686  1.0
  H  H2  2  0.4077  0.7500  0.2205  1.0
  Se  Se3  2  0.1692  0.2500  0.3642  1.0
  Se  Se4  2  0.2183  0.2500  0.9837  1.0
]