data_[Na6La4U2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4880]
_cell_length_b [12.9716]
_cell_length_c [7.4140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3La2USe6]
_chemical_formula_sum '[Na6 La4 U2 Se12]'
_cell_volume [677.9927]
_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
[
  Na  Na0  4  0.0000  0.1671  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3334  0.0000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2412  0.1622  0.2372  1
  Se  Se5  4  0.2455  0.0000  0.7645  1
]