data_[Na2Y2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3682]
_cell_length_b [6.3715]
_cell_length_c [11.0363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaYTl2F6]
_chemical_formula_sum '[Na2 Y2 Tl4 F12]'
_cell_volume [365.4118]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Y  Y1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2537  0.5194  0.7498  1.0
  F  F3  4  0.2000  0.5120  0.2588  1.0
  F  F4  4  0.2597  0.2125  0.0296  1.0
  F  F5  4  0.3208  0.7289  0.0315  1.0
]