data_[Tl1Ag1Mo1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1894]
_cell_length_b [5.7812]
_cell_length_c [5.9124]
_cell_angle_alpha [112.1497]
_cell_angle_beta [95.8147]
_cell_angle_gamma [91.6450]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlAgMoF6]
_chemical_formula_sum '[Tl1 Ag1 Mo1 F6]'
_cell_volume [163.0098]
_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
[
  Tl  Tl0  1  0.9413  0.0187  0.9699  1.0
  Ag  Ag1  1  0.9672  0.3175  0.6701  1.0
  Mo  Mo2  1  0.4431  0.6670  0.3365  1.0
  F  F3  1  0.1873  0.6707  0.0461  1.0
  F  F4  1  0.2011  0.4136  0.3728  1.0
  F  F5  1  0.2726  0.9396  0.5793  1.0
  F  F6  1  0.6120  0.4065  0.0902  1.0
  F  F7  1  0.6835  0.9363  0.3211  1.0
  F  F8  1  0.6917  0.6304  0.6142  1.0
]