data_[U4Te2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6460]
_cell_length_b [3.8275]
_cell_length_c [13.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2TeI6]
_chemical_formula_sum '[U4 Te2 I12]'
_cell_volume [806.7387]
_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  4  0.0479  0.5000  0.2058  1
  Te  Te1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.0952  0.0000  0.4097  1
  I  I3  4  0.1170  0.0000  0.8590  1
  I  I4  4  0.2081  0.0000  0.2503  1
]