data_[Ba4Nd4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5764]
_cell_length_b [10.2200]
_cell_length_c [7.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaNd(BO3)2]
_chemical_formula_sum '[Ba4 Nd4 B8 O24]'
_cell_volume [585.4175]
_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  0.0000  0.1392  0.2500  1.0
  Nd  Nd1  4  0.0000  0.4095  0.7500  1.0
  B  B2  8  0.2429  0.3761  0.2601  1.0
  O  O3  8  0.0899  0.3838  0.1055  1.0
  O  O4  8  0.1739  0.2408  0.6964  1.0
  O  O5  8  0.2037  0.0144  0.6228  1.0
]