data_[Li2Tb4Nd6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0971]
_cell_length_b [12.3764]
_cell_length_c [7.2703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTb2(NdSe2)3]
_chemical_formula_sum '[Li2 Tb4 Nd6 Se12]'
_cell_volume [602.9476]
_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  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  4  0.0000  0.3338  0.0000  1.0
  Nd  Nd2  4  0.0000  0.1667  0.5000  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2400  0.1628  0.2344  1.0
  Se  Se5  4  0.2457  0.0000  0.7687  1.0
]