# generated using pymatgen
data_Tb4NiB16Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96964464
_cell_length_b   6.96964479
_cell_length_c   6.96964456
_cell_angle_alpha   112.34448400
_cell_angle_beta   111.37496103
_cell_angle_gamma   104.79466960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4NiB16Ir3
_chemical_formula_sum   'Tb4 Ni1 B16 Ir3'
_cell_volume   259.31291650
_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
  Tb  Tb0  1  0.21645946  0.21363134  0.00282812  1.0
  Tb  Tb1  1  0.78919778  0.78636866  0.00282812  1.0
  Tb  Tb2  1  0.74835221  0.24808930  0.50026191  1.0
  Tb  Tb3  1  0.25217262  0.75191070  0.50026191  1.0
  Ni  Ni4  1  0.25768634  0.50000000  0.75768634  1.0
  B  B5  1  0.10925824  0.27132574  0.38058398  1.0
  B  B6  1  0.89351890  0.73468355  0.62820245  1.0
  B  B7  1  0.89351890  0.26531645  0.15883634  1.0
  B  B8  1  0.10925824  0.72867426  0.83793150  1.0
  B  B9  1  0.73133134  0.89137368  0.62270502  1.0
  B  B10  1  0.26507991  0.10935582  0.37443473  1.0
  B  B11  1  0.73133134  0.10862632  0.83995667  1.0
  B  B12  1  0.26507991  0.89064418  0.15572509  1.0
  B  B13  1  0.41381312  0.41865848  0.53213831  1.0
  B  B14  1  0.88938193  0.88981367  0.47389826  1.0
  B  B15  1  0.58408558  0.11018633  0.99956825  1.0
  B  B16  1  0.11347983  0.58134152  0.99515463  1.0
  B  B17  1  0.58408558  0.58451733  0.47389826  1.0
  B  B18  1  0.11347983  0.11832519  0.53213831  1.0
  B  B19  1  0.88938193  0.41548267  0.99956825  1.0
  B  B20  1  0.41381312  0.88167481  0.99515463  1.0
  Ir  Ir21  1  0.49671659  0.26767734  0.76439393  1.0
  Ir  Ir22  1  0.49671659  0.73232266  0.22903925  1.0
  Ir  Ir23  1  0.74280474  0.50000000  0.24280474  1.0