data_[K2Hf2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5403]
_cell_length_b [3.9805]
_cell_length_c [9.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfAgSe3]
_chemical_formula_sum '[K2 Hf2 Ag2 Se6]'
_cell_volume [319.5118]
_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  0.2385  0.7500  0.2751  1.0
  Hf  Hf1  2  0.3136  0.2500  0.8388  1.0
  Ag  Ag2  2  0.0746  0.7500  0.6051  1.0
  Se  Se3  2  0.1140  0.7500  0.8758  1.0
  Se  Se4  2  0.2683  0.2500  0.5641  1.0
  Se  Se5  2  0.4561  0.2500  0.1330  1.0
]