data_[K4Hf2Ni4Se8]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1660]
_cell_length_b [3.8378]
_cell_length_c [7.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf(NiSe2)2]
_chemical_formula_sum '[K4 Hf2 Ni4 Se8]'
_cell_volume [408.6567]
_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  4  0.1346  0.0000  0.5608  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.1815  0.5000  0.9914  1.0
  Se  Se3  4  0.0184  0.5000  0.7705  1.0
  Se  Se4  4  0.1981  0.0000  0.1746  1.0
]