data_[Ce2U6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.5803]
_cell_length_b [4.0881]
_cell_length_c [12.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(USe2)3]
_chemical_formula_sum '[Ce2 U6 Se12]'
_cell_volume [539.8949]
_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
[
  Ce  Ce0  2  0.0478  0.2500  0.6948  1
  U  U1  2  0.1498  0.2500  0.0789  1
  U  U2  2  0.3159  0.7500  0.5054  1
  U  U3  2  0.4344  0.2500  0.8336  1
  Se  Se4  2  0.0878  0.7500  0.9009  1
  Se  Se5  2  0.1203  0.2500  0.4646  1
  Se  Se6  2  0.1959  0.7500  0.2502  1
  Se  Se7  2  0.2592  0.7500  0.7277  1
  Se  Se8  2  0.3913  0.2500  0.0587  1
  Se  Se9  2  0.4904  0.2500  0.6195  1
]