data_[Ba3La3Nd12Se24]
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 [R3m]
_cell_length_a [8.8446]
_cell_length_b [8.8446]
_cell_length_c [21.9212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaLa(NdSe2)4]
_chemical_formula_sum '[Ba3 La3 Nd12 Se24]'
_cell_volume [1485.0914]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3741  1
  La  La1  3  0.0000  0.0000  0.0013  1
  Nd  Nd2  9  0.1686  0.3372  0.8329  1
  Nd  Nd3  3  0.0000  0.0000  0.6255  1
  Se  Se4  9  0.0402  0.5201  0.7564  1
  Se  Se5  9  0.1756  0.3511  0.5799  1
  Se  Se6  3  0.0000  0.0000  0.2344  1
  Se  Se7  3  0.0000  0.0000  0.7573  1
]