data_[La4U4Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmma]
_cell_length_a [10.8127]
_cell_length_b [5.6106]
_cell_length_c [10.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [La2U2Se9]
_chemical_formula_sum '[La4 U4 Se18]'
_cell_volume [639.7783]
_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
[
  La  La0  2  0.2500  0.5000  0.4290  1
  La  La1  2  0.2500  0.5000  0.9738  1
  U  U2  4  0.0084  0.0000  0.7479  1
  Se  Se3  4  0.0000  0.2488  0.5000  1
  Se  Se4  4  0.0498  0.5000  0.1910  1
  Se  Se5  4  0.1241  0.0000  0.0002  1
  Se  Se6  4  0.2500  0.2486  0.7135  1
  Se  Se7  2  0.2500  0.0000  0.3135  1
]