data_[Ba2Zn2C2O6F4]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [4.9202]
_cell_length_b [4.9202]
_cell_length_c [10.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [BaZnCO3F2]
_chemical_formula_sum '[Ba2 Zn2 C2 O6 F4]'
_cell_volume [212.4485]
_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  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.3333  0.6667  0.7500  1.0
  C  C2  2  0.3333  0.6667  0.2500  1.0
  O  O3  6  0.1031  0.7238  0.2500  1.0
  F  F4  4  0.3333  0.6667  0.5479  1.0
]