data_[Tl3Zn2Sn1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [P-3m1]
_cell_length_a [6.1251]
_cell_length_b [6.1251]
_cell_length_c [7.7485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3Zn2SnF9]
_chemical_formula_sum '[Tl3 Zn2 Sn1 F9]'
_cell_volume [251.7565]
_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
[
  Tl  Tl0  2  0.3333  0.6667  0.3042  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.3333  0.6667  0.8449  1.0
  Sn  Sn3  1  0.0000  0.0000  0.5000  1.0
  F  F4  6  0.1750  0.3500  0.6934  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]