data_[U4Ge2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7226]
_cell_length_b [6.9546]
_cell_length_c [11.1128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [U2GeSe6]
_chemical_formula_sum '[U4 Ge2 Se12]'
_cell_volume [461.9672]
_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  0.1617  0.6148  0.2152  1
  Ge  Ge1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1177  0.6903  0.9407  1
  Se  Se3  4  0.2282  0.1728  0.9084  1
  Se  Se4  4  0.4479  0.5799  0.7508  1
]