data_[U8Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [8.3862]
_cell_length_b [8.8626]
_cell_length_c [7.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U4GeTe3]
_chemical_formula_sum '[U8 Ge2 Te6]'
_cell_volume [451.5765]
_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  0.2433  0.0000  0.4804  1
  U  U1  4  0.2500  0.2500  0.0000  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.2486  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
]