data_[K1Ba2Zn1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5167]
_cell_length_b [8.5160]
_cell_length_c [5.7078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KBa2ZnF8]
_chemical_formula_sum '[K1 Ba2 Zn1 F8]'
_cell_volume [217.0289]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2387  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0644  0.1879  0.7716  1.0
  F  F4  2  0.3853  0.0000  0.1994  1.0
  F  F5  2  0.4633  0.5000  0.7361  1.0
]