# generated using pymatgen
data_Ba2(Ni3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54455162
_cell_length_b   7.54455162
_cell_length_c   7.54455126
_cell_angle_alpha   83.41998816
_cell_angle_beta   83.41998816
_cell_angle_gamma   83.41998320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(Ni3B2)3
_chemical_formula_sum   'Ba4 Ni18 B12'
_cell_volume   421.55317235
_cell_formula_units_Z   2
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  0.62287100  0.62287100  0.62287100  1.0
  Ba  Ba1  1  0.87712900  0.87712900  0.87712900  1.0
  Ba  Ba2  1  0.37712900  0.37712900  0.37712900  1.0
  Ba  Ba3  1  0.12287100  0.12287100  0.12287100  1.0
  Ni  Ni4  1  0.42387700  0.93269000  0.39149000  1.0
  Ni  Ni5  1  0.07612300  0.10851000  0.56731000  1.0
  Ni  Ni6  1  0.93269000  0.39149000  0.42387700  1.0
  Ni  Ni7  1  0.56731000  0.07612300  0.10851000  1.0
  Ni  Ni8  1  0.60851000  0.57612300  0.06731000  1.0
  Ni  Ni9  1  0.57612300  0.06731000  0.60851000  1.0
  Ni  Ni10  1  0.06731000  0.60851000  0.57612300  1.0
  Ni  Ni11  1  0.92387700  0.89149000  0.43269000  1.0
  Ni  Ni12  1  0.89149000  0.43269000  0.92387700  1.0
  Ni  Ni13  1  0.43269000  0.92387700  0.89149000  1.0
  Ni  Ni14  1  0.75000000  0.28450100  0.21549900  1.0
  Ni  Ni15  1  0.21549900  0.75000000  0.28450100  1.0
  Ni  Ni16  1  0.28450100  0.21549900  0.75000000  1.0
  Ni  Ni17  1  0.25000000  0.71549900  0.78450100  1.0
  Ni  Ni18  1  0.78450100  0.25000000  0.71549900  1.0
  Ni  Ni19  1  0.71549900  0.78450100  0.25000000  1.0
  Ni  Ni20  1  0.10851000  0.56731000  0.07612300  1.0
  Ni  Ni21  1  0.39149000  0.42387700  0.93269000  1.0
  B  B22  1  0.53451300  0.18777100  0.84746600  1.0
  B  B23  1  0.84746600  0.53451300  0.18777100  1.0
  B  B24  1  0.18777100  0.84746600  0.53451300  1.0
  B  B25  1  0.96548700  0.65253400  0.31222900  1.0
  B  B26  1  0.46548700  0.81222900  0.15253400  1.0
  B  B27  1  0.15253400  0.46548700  0.81222900  1.0
  B  B28  1  0.81222900  0.15253400  0.46548700  1.0
  B  B29  1  0.03451300  0.34746600  0.68777100  1.0
  B  B30  1  0.68777100  0.03451300  0.34746600  1.0
  B  B31  1  0.34746600  0.68777100  0.03451300  1.0
  B  B32  1  0.31222900  0.96548700  0.65253400  1.0
  B  B33  1  0.65253400  0.31222900  0.96548700  1.0