data_[K2Hf2Si2N6]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3755]
_cell_length_b [3.1745]
_cell_length_c [9.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfSiN3]
_chemical_formula_sum '[K2 Hf2 Si2 N6]'
_cell_volume [208.5057]
_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  0.1636  0.7500  0.2126  1
  Hf  Hf1  2  0.3806  0.2500  0.8728  1
  Si  Si2  2  0.1123  0.7500  0.5861  1
  N  N3  2  0.1360  0.2500  0.4935  1
  N  N4  2  0.1909  0.7500  0.7727  1
  N  N5  2  0.4165  0.2500  0.0991  1
]