data_[Ba6La3Nd9O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2844]
_cell_length_b [7.2844]
_cell_length_c [18.3988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2LaNd3O8]
_chemical_formula_sum '[Ba6 La3 Nd9 O24]'
_cell_volume [845.4799]
_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  0.4997  1.0
  Ba  Ba1  3  0.0000  0.0000  0.8784  1.0
  La  La2  3  0.0000  0.0000  0.1198  1.0
  Nd  Nd3  9  0.1694  0.3387  0.3329  1.0
  O  O4  9  0.0378  0.5189  0.2662  1.0
  O  O5  9  0.1688  0.3376  0.0732  1.0
  O  O6  3  0.0000  0.0000  0.2601  1.0
  O  O7  3  0.0000  0.0000  0.7323  1.0
]