# generated using pymatgen
data_Tb2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91237996
_cell_length_b   6.91237929
_cell_length_c   6.91237895
_cell_angle_alpha   113.37122322
_cell_angle_beta   111.25515481
_cell_angle_gamma   103.93323902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2NiB8Ir
_chemical_formula_sum   'Tb4 Ni2 B16 Ir2'
_cell_volume   252.39593091
_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
  Tb  Tb0  1  0.20990323  0.20990323  1.00000000  1.0
  Tb  Tb1  1  0.79009677  0.79009677  0.00000000  1.0
  Tb  Tb2  1  0.74663972  0.24663972  0.50000000  1.0
  Tb  Tb3  1  0.25336028  0.75336028  0.50000000  1.0
  Ni  Ni4  1  0.74504191  0.50000000  0.24504191  1.0
  Ni  Ni5  1  0.25495809  0.50000000  0.75495809  1.0
  B  B6  1  0.10867088  0.27327086  0.38194174  1.0
  B  B7  1  0.89132912  0.72672914  0.61805826  1.0
  B  B8  1  0.89132912  0.27327086  0.16460099  1.0
  B  B9  1  0.10867088  0.72672914  0.83539901  1.0
  B  B10  1  0.73018491  0.88878483  0.61896974  1.0
  B  B11  1  0.26981509  0.11121517  0.38103026  1.0
  B  B12  1  0.73018491  0.11121517  0.84140008  1.0
  B  B13  1  0.26981509  0.88878483  0.15859992  1.0
  B  B14  1  0.41440618  0.41981454  0.53069879  1.0
  B  B15  1  0.88911574  0.88370839  0.46930121  1.0
  B  B16  1  0.58559382  0.11629161  0.00540736  1.0
  B  B17  1  0.11088426  0.58018546  0.99459264  1.0
  B  B18  1  0.58559382  0.58018546  0.46930121  1.0
  B  B19  1  0.11088426  0.11629161  0.53069879  1.0
  B  B20  1  0.88911574  0.41981454  0.00540736  1.0
  B  B21  1  0.41440618  0.88370839  0.99459264  1.0
  Ir  Ir22  1  0.50000000  0.27823789  0.77823789  1.0
  Ir  Ir23  1  0.50000000  0.72176211  0.22176211  1.0