data_[Ba4La4Nd8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Imma]
_cell_length_a [8.6603]
_cell_length_b [8.7717]
_cell_length_c [12.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaLa(NdSe2)2]
_chemical_formula_sum '[Ba4 La4 Nd8 Se16]'
_cell_volume [934.3768]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.2500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  4  0.0000  0.0000  0.5000  1.0
  Nd  Nd3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  8  0.0000  0.0167  0.7484  1.0
  Se  Se5  8  0.2470  0.2500  0.5080  1.0
]