data_[Tl4Zn4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1993]
_cell_length_b [5.4564]
_cell_length_c [7.7404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlZnF3]
_chemical_formula_sum '[Tl4 Zn4 F12]'
_cell_volume [327.9098]
_cell_formula_units_Z [4]
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  4  0.3673  0.2228  0.3592  1.0
  Zn  Zn1  4  0.0757  0.7472  0.6085  1.0
  F  F2  4  0.0506  0.5680  0.8520  1.0
  F  F3  4  0.1567  0.0889  0.0306  1.0
  F  F4  4  0.3164  0.6578  0.2300  1.0
]