data_[Ba1Zn1Sn1F6]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.9666]
_cell_length_b [5.9666]
_cell_length_c [4.6555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [BaZnSnF6]
_chemical_formula_sum '[Ba1 Zn1 Sn1 F6]'
_cell_volume [143.5332]
_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
[
  Ba  Ba0  1  0.6667  0.3333  0.1334  1.0
  Zn  Zn1  1  0.3333  0.6667  0.4979  1.0
  Sn  Sn2  1  0.0000  0.0000  0.5804  1.0
  F  F3  3  0.1057  0.7864  0.2501  1.0
  F  F4  3  0.4340  0.0135  0.6794  1.0
]