data_[Li2Nd2U2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  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 [8.5901]
_cell_length_b [3.9737]
_cell_length_c [8.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdUSe3]
_chemical_formula_sum '[Li2 Nd2 U2 Se6]'
_cell_volume [293.5361]
_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
[
  Li  Li0  2  0.0877  0.7500  0.5892  1
  Nd  Nd1  2  0.1825  0.7500  0.2309  1
  U  U2  2  0.3482  0.2500  0.8540  1
  Se  Se3  2  0.0991  0.7500  0.8733  1
  Se  Se4  2  0.2193  0.2500  0.5062  1
  Se  Se5  2  0.4271  0.2500  0.1949  1
]