data_[Ta2Tl6Te4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3656]
_cell_length_b [8.6423]
_cell_length_c [4.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTl3Te2F6]
_chemical_formula_sum '[Ta2 Tl6 Te4 F12]'
_cell_volume [633.9486]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2500  0.2500  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.1669  0.5000  0.9226  1
  F  F4  8  0.0562  0.1592  0.3322  1
  F  F5  4  0.1054  0.0000  0.8193  1
]