data_[K4Tl2Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3784]
_cell_length_b [6.6861]
_cell_length_c [11.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TlMoF6]
_chemical_formula_sum '[K4 Tl2 Mo2 F12]'
_cell_volume [388.9136]
_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
[
  K  K0  4  0.2741  0.5513  0.7571  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0908  0.5697  0.2110  1.0
  F  F4  4  0.2385  0.2445  0.0815  1.0
  F  F5  4  0.3180  0.6689  0.0478  1.0
]