# generated using pymatgen
data_TbScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55417654
_cell_length_b   9.01552730
_cell_length_c   11.38103013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbScB6Ir
_chemical_formula_sum   'Tb4 Sc4 B24 Ir4'
_cell_volume   364.67979524
_cell_formula_units_Z   4
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  0.50000000  0.31982304  0.41423024  1.0
  Tb  Tb1  1  0.50000000  0.68017696  0.58576976  1.0
  Tb  Tb2  1  0.50000000  0.18017696  0.91423024  1.0
  Tb  Tb3  1  0.50000000  0.81982304  0.08576976  1.0
  Sc  Sc4  1  0.50000000  0.44513803  0.12398118  1.0
  Sc  Sc5  1  0.50000000  0.55486197  0.87601882  1.0
  Sc  Sc6  1  0.50000000  0.05486197  0.62398118  1.0
  Sc  Sc7  1  0.50000000  0.94513803  0.37601882  1.0
  B  B8  1  0.00000000  0.10084942  0.47290360  1.0
  B  B9  1  0.00000000  0.89915058  0.52709640  1.0
  B  B10  1  0.00000000  0.39915058  0.97290360  1.0
  B  B11  1  0.00000000  0.60084942  0.02709640  1.0
  B  B12  1  0.00000000  0.12981590  0.31831475  1.0
  B  B13  1  0.00000000  0.87018410  0.68168525  1.0
  B  B14  1  0.00000000  0.37018410  0.81831475  1.0
  B  B15  1  0.00000000  0.62981590  0.18168525  1.0
  B  B16  1  0.00000000  0.05528923  0.06634003  1.0
  B  B17  1  0.00000000  0.94471077  0.93365997  1.0
  B  B18  1  0.00000000  0.44471077  0.56634003  1.0
  B  B19  1  0.00000000  0.55528923  0.43365997  1.0
  B  B20  1  0.00000000  0.48209491  0.28465629  1.0
  B  B21  1  0.00000000  0.51790509  0.71534371  1.0
  B  B22  1  0.00000000  0.01790509  0.78465629  1.0
  B  B23  1  0.00000000  0.98209491  0.21534371  1.0
  B  B24  1  0.00000000  0.25398214  0.08079468  1.0
  B  B25  1  0.00000000  0.74601786  0.91920532  1.0
  B  B26  1  0.00000000  0.24601786  0.58079468  1.0
  B  B27  1  0.00000000  0.75398214  0.41920532  1.0
  B  B28  1  0.00000000  0.29544681  0.23521564  1.0
  B  B29  1  0.00000000  0.70455319  0.76478436  1.0
  B  B30  1  0.00000000  0.20455319  0.73521564  1.0
  B  B31  1  0.00000000  0.79544681  0.26478436  1.0
  Ir  Ir32  1  0.50000000  0.14109426  0.18168556  1.0
  Ir  Ir33  1  0.50000000  0.85890574  0.81831444  1.0
  Ir  Ir34  1  0.50000000  0.35890574  0.68168556  1.0
  Ir  Ir35  1  0.50000000  0.64109426  0.31831444  1.0