# generated using pymatgen
data_Ba(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08444543
_cell_length_b   6.08444543
_cell_length_c   6.08447756
_cell_angle_alpha   104.68616740
_cell_angle_beta   104.68616740
_cell_angle_gamma   104.68553658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Ni2B)6
_chemical_formula_sum   'Ba1 Ni12 B6'
_cell_volume   198.24486188
_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  0.00000000  1.0
  Ni  Ni1  1  0.13293869  0.49999560  0.86705075  1.0
  Ni  Ni2  1  0.18783086  0.46746855  0.46746894  1.0
  Ni  Ni3  1  0.50000440  0.86706131  0.13294925  1.0
  Ni  Ni4  1  0.46746855  0.18783086  0.46746894  1.0
  Ni  Ni5  1  0.53253145  0.81216914  0.53253106  1.0
  Ni  Ni6  1  0.81216914  0.53253145  0.53253106  1.0
  Ni  Ni7  1  0.53253780  0.53253780  0.81218356  1.0
  Ni  Ni8  1  0.49999560  0.13293869  0.86705075  1.0
  Ni  Ni9  1  0.86706131  0.50000440  0.13294925  1.0
  Ni  Ni10  1  0.13293831  0.86706169  0.50000000  1.0
  Ni  Ni11  1  0.46746220  0.46746220  0.18781644  1.0
  Ni  Ni12  1  0.86706169  0.13293831  0.50000000  1.0
  B  B13  1  0.76961975  0.76961975  0.35453703  1.0
  B  B14  1  0.23038460  0.64546541  0.23038564  1.0
  B  B15  1  0.23038025  0.23038025  0.64546297  1.0
  B  B16  1  0.64546541  0.23038460  0.23038564  1.0
  B  B17  1  0.35453459  0.76961540  0.76961436  1.0
  B  B18  1  0.76961540  0.35453459  0.76961436  1.0