# generated using pymatgen
data_Ba2Nd2Al3(B4O9)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67410640
_cell_length_b   4.67410640
_cell_length_c   26.07708900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Nd2Al3(B4O9)3
_chemical_formula_sum   'Ba2 Nd2 Al3 B12 O27'
_cell_volume   493.38609424
_cell_formula_units_Z   1
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  1  0.00000000  0.00000000  0.14906100  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.85093900  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.30056400  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.69943600  1.0
  Al  Al4  1  0.37351500  0.37351500  0.50000000  1.0
  Al  Al5  1  0.62648500  0.00000000  0.50000000  1.0
  Al  Al6  1  0.00000000  0.62648500  0.50000000  1.0
  B  B7  1  0.66666700  0.33333300  0.77261200  1.0
  B  B8  1  0.66666700  0.33333300  0.22738800  1.0
  B  B9  1  0.33333300  0.66666700  0.77261200  1.0
  B  B10  1  0.33333300  0.66666700  0.22738800  1.0
  B  B11  1  0.66666700  0.33333300  0.61094200  1.0
  B  B12  1  0.66666700  0.33333300  0.38905800  1.0
  B  B13  1  0.33333300  0.66666700  0.61094200  1.0
  B  B14  1  0.33333300  0.66666700  0.38905800  1.0
  B  B15  1  0.66666700  0.33333300  0.94431100  1.0
  B  B16  1  0.66666700  0.33333300  0.05568900  1.0
  B  B17  1  0.33333300  0.66666700  0.94431100  1.0
  B  B18  1  0.33333300  0.66666700  0.05568900  1.0
  O  O19  1  0.66666700  0.33333300  0.82442000  1.0
  O  O20  1  0.66666700  0.33333300  0.17558000  1.0
  O  O21  1  0.33333300  0.66666700  0.82442000  1.0
  O  O22  1  0.33333300  0.66666700  0.17558000  1.0
  O  O23  1  0.58297200  0.58297200  0.74587100  1.0
  O  O24  1  0.41702800  0.00000000  0.74587100  1.0
  O  O25  1  0.00000000  0.41702800  0.74587100  1.0
  O  O26  1  0.58297200  0.58297200  0.25412900  1.0
  O  O27  1  0.41702800  0.00000000  0.25412900  1.0
  O  O28  1  0.00000000  0.41702800  0.25412900  1.0
  O  O29  1  0.66666700  0.33333300  0.54467100  1.0
  O  O30  1  0.66666700  0.33333300  0.45532900  1.0
  O  O31  1  0.33333300  0.66666700  0.54467100  1.0
  O  O32  1  0.33333300  0.66666700  0.45532900  1.0
  O  O33  1  0.57830400  0.57830400  0.94329700  1.0
  O  O34  1  0.42169600  0.00000000  0.94329700  1.0
  O  O35  1  0.00000000  0.42169600  0.94329700  1.0
  O  O36  1  0.57830400  0.57830400  0.05670300  1.0
  O  O37  1  0.42169600  0.00000000  0.05670300  1.0
  O  O38  1  0.00000000  0.42169600  0.05670300  1.0
  O  O39  1  0.58902400  0.58902400  0.62463500  1.0
  O  O40  1  0.41097600  0.00000000  0.62463500  1.0
  O  O41  1  0.00000000  0.41097600  0.62463500  1.0
  O  O42  1  0.58902400  0.58902400  0.37536500  1.0
  O  O43  1  0.41097600  0.00000000  0.37536500  1.0
  O  O44  1  0.00000000  0.41097600  0.37536500  1.0
  O  O45  1  0.00000000  0.00000000  0.50000000  1.0