data_[Li2La4Nd6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [7.2988]
_cell_length_b [12.6824]
_cell_length_c [7.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLa2(NdSe2)3]
_chemical_formula_sum '[Li2 La4 Nd6 Se12]'
_cell_volume [644.0014]
_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
  La  La1  4  0.0000  0.3345  0.0000  1.0
  Nd  Nd2  4  0.0000  0.1676  0.5000  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2431  0.1613  0.2478  1.0
  Se  Se5  4  0.2380  0.0000  0.7527  1.0
]