data_[K4Ba2Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5257]
_cell_length_b [8.5257]
_cell_length_c [5.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [K2BaZn2]
_chemical_formula_sum '[K4 Ba2 Zn4]'
_cell_volume [418.4858]
_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  0.1683  0.6683  0.5000  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1064  0.3936  0.0000  1
]