data_[Cs1Tl1Mo1F6]
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 [P1]
_cell_length_a [5.1834]
_cell_length_b [6.2646]
_cell_length_c [6.3487]
_cell_angle_alpha [61.2368]
_cell_angle_beta [89.0730]
_cell_angle_gamma [89.1966]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTlMoF6]
_chemical_formula_sum '[Cs1 Tl1 Mo1 F6]'
_cell_volume [180.6927]
_cell_formula_units_Z [1]
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  1  0.1238  0.9957  0.9908  1.0
  Tl  Tl1  1  0.6703  0.6397  0.6796  1.0
  Mo  Mo2  1  0.4566  0.3355  0.3332  1.0
  F  F3  1  0.2130  0.4867  0.4693  1.0
  F  F4  1  0.2591  0.0262  0.4746  1.0
  F  F5  1  0.2675  0.4781  0.0099  1.0
  F  F6  1  0.6486  0.2025  0.6539  1.0
  F  F7  1  0.6563  0.6445  0.1934  1.0
  F  F8  1  0.7047  0.1912  0.1951  1.0
]