data_[Ba4Zn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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_1/c]
_cell_length_a [5.7374]
_cell_length_b [6.9630]
_cell_length_c [9.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2ZnF6]
_chemical_formula_sum '[Ba4 Zn2 F12]'
_cell_volume [327.2869]
_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
[
  Ba  Ba0  4  0.2201  0.0990  0.7602  1.0
  Zn  Zn1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.1535  0.1441  0.4567  1.0
  F  F3  4  0.3026  0.7253  0.4400  1.0
  F  F4  4  0.3657  0.0386  0.2618  1.0
]