data_[U2Tl6Ge4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6652]
_cell_length_b [13.2617]
_cell_length_c [8.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UTl3(GeTe3)2]
_chemical_formula_sum '[U2 Tl6 Ge4 Te12]'
_cell_volume [806.8936]
_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
  Tl  Tl1  4  0.0000  0.1668  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  4  0.0000  0.3331  0.0000  1
  Te  Te4  8  0.2322  0.1650  0.2027  1
  Te  Te5  4  0.2390  0.5000  0.2053  1
]