data_[Zr2Tl2Ag2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2095]
_cell_length_b [10.9077]
_cell_length_c [5.4999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ZrTlAgF6]
_chemical_formula_sum '[Zr2 Tl2 Ag2 F12]'
_cell_volume [372.4834]
_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
[
  Zr  Zr0  2  0.0000  0.6659  0.5000  1.0
  Tl  Tl1  2  0.0000  0.9985  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3331  0.5000  1.0
  F  F3  4  0.1301  0.5289  0.2959  1.0
  F  F4  4  0.1518  0.7986  0.3007  1.0
  F  F5  4  0.2312  0.1719  0.2807  1.0
]