data_[Tl4Mo4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3448]
_cell_length_b [7.3495]
_cell_length_c [8.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlMoO4F]
_chemical_formula_sum '[Tl4 Mo4 O16 F4]'
_cell_volume [529.3672]
_cell_formula_units_Z [4]
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  4  0.1785  0.0000  0.1971  1
  Mo  Mo1  4  0.1421  0.5000  0.3009  1
  O  O2  8  0.1722  0.3021  0.1976  1
  O  O3  4  0.0565  0.5000  0.7190  1
  O  O4  4  0.2156  0.0000  0.4730  1
  F  F5  4  0.0914  0.0000  0.9118  1
]