data_[K2Zr2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4376]
_cell_length_b [3.3374]
_cell_length_c [9.2938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrTiN3]
_chemical_formula_sum '[K2 Zr2 Ti2 N6]'
_cell_volume [227.8902]
_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  0.1523  0.2500  0.1994  1.0
  Zr  Zr1  2  0.3839  0.7500  0.8767  1.0
  Ti  Ti2  2  0.1280  0.2500  0.5843  1.0
  N  N3  2  0.1376  0.7500  0.4751  1.0
  N  N4  2  0.1984  0.2500  0.7857  1.0
  N  N5  2  0.4147  0.7500  0.0978  1.0
]