data_[U2Te12O12F60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Te  2.1000  1.4000  1.2933
  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 [9.5854]
_cell_length_b [14.7840]
_cell_length_c [9.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTe6(OF5)6]
_chemical_formula_sum '[U2 Te12 O12 F60]'
_cell_volume [1178.4034]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Te  Te1  8  0.2339  0.3230  0.7196  1
  Te  Te2  4  0.2407  0.0000  0.7772  1
  O  O3  8  0.1720  0.0986  0.1028  1
  O  O4  4  0.0626  0.0000  0.8168  1
  F  F5  8  0.0399  0.3742  0.6677  1
  F  F6  8  0.0725  0.2299  0.2268  1
  F  F7  8  0.1388  0.0893  0.6265  1
  F  F8  8  0.1435  0.2466  0.5443  1
  F  F9  8  0.1531  0.4130  0.0664  1
  F  F10  8  0.2044  0.2376  0.8483  1
  F  F11  8  0.2338  0.0917  0.4093  1
  F  F12  4  0.0980  0.5000  0.2793  1
]