data_[Ba2Li2Nd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0557]
_cell_length_b [4.3301]
_cell_length_c [9.3555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiNdSe3]
_chemical_formula_sum '[Ba2 Li2 Nd2 Se6]'
_cell_volume [356.4247]
_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
[
  Ba  Ba0  2  0.1866  0.2500  0.2381  1.0
  Li  Li1  2  0.0847  0.2500  0.5895  1.0
  Nd  Nd2  2  0.3307  0.7500  0.8356  1.0
  Se  Se3  2  0.1137  0.2500  0.8668  1.0
  Se  Se4  2  0.2026  0.7500  0.5161  1.0
  Se  Se5  2  0.4419  0.7500  0.1661  1.0
]