data_[Cs4Tl4Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [7.2257]
_cell_length_b [12.2890]
_cell_length_c [6.8317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2MoF6]
_chemical_formula_sum '[Cs4 Tl4 Mo2 F12]'
_cell_volume [583.0081]
_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
[
  Cs  Cs0  4  0.0000  0.3435  0.5000  1
  Tl  Tl1  4  0.0000  0.1494  0.0000  1
  Mo  Mo2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.1672  0.1298  0.6796  1
  F  F4  4  0.2020  0.0000  0.2018  1
]