data_[K2Sm2Hf2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.2212]
_cell_length_b [7.1302]
_cell_length_c [9.1483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KSmHfSe4]
_chemical_formula_sum '[K2 Sm2 Hf2 Se8]'
_cell_volume [444.7219]
_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  0.2558  0.7999  0.0584  1
  Sm  Sm1  2  0.2013  0.7991  0.5502  1
  Hf  Hf2  2  0.2687  0.2942  0.3383  1
  Se  Se3  2  0.0025  0.5458  0.7175  1
  Se  Se4  2  0.0069  0.0486  0.7066  1
  Se  Se5  2  0.4443  0.2422  0.1507  1
  Se  Se6  2  0.4938  0.1343  0.5856  1
]