data_[K2Yb4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Yb  1.1000  1.7500  1.0840
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.5762]
_cell_length_b [4.9198]
_cell_length_c [15.5119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYb2N]
_chemical_formula_sum '[K2 Yb4 N2]'
_cell_volume [271.2476]
_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  0.0656  0.2500  0.1240  1.0
  Yb  Yb1  2  0.2301  0.2500  0.4588  1.0
  Yb  Yb2  2  0.3291  0.2500  0.6643  1.0
  N  N3  2  0.2181  0.7500  0.4341  1.0
]