# generated using pymatgen
data_TbNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81261172
_cell_length_b   6.81261230
_cell_length_c   6.81260334
_cell_angle_alpha   112.98310995
_cell_angle_beta   112.98306739
_cell_angle_gamma   102.65438172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNiB4
_chemical_formula_sum   'Tb4 Ni4 B16'
_cell_volume   240.85976170
_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  0.20418801  0.20418626  0.00000184  1.0
  Tb  Tb1  1  0.79581532  0.79581363  0.00000157  1.0
  Tb  Tb2  1  0.75000761  0.24999993  0.50000707  1.0
  Tb  Tb3  1  0.25000640  0.75000025  0.50000710  1.0
  Ni  Ni4  1  0.49998320  0.27279402  0.77277576  1.0
  Ni  Ni5  1  0.49998126  0.72720583  0.22718829  1.0
  Ni  Ni6  1  0.72720200  0.49999866  0.22720189  1.0
  Ni  Ni7  1  0.27278630  0.50000094  0.77278602  1.0
  B  B8  1  0.11191627  0.27635857  0.38827377  1.0
  B  B9  1  0.88809224  0.72364176  0.61173503  1.0
  B  B10  1  0.88809206  0.27635643  0.16444973  1.0
  B  B11  1  0.11191632  0.72364330  0.83555852  1.0
  B  B12  1  0.72364118  0.88808748  0.61172975  1.0
  B  B13  1  0.27635883  0.11191158  0.38826931  1.0
  B  B14  1  0.72364281  0.11191274  0.83555451  1.0
  B  B15  1  0.27635697  0.88808845  0.16444656  1.0
  B  B16  1  0.41918972  0.41918917  0.53360702  1.0
  B  B17  1  0.88558768  0.88558642  0.46639851  1.0
  B  B18  1  0.58081243  0.11441391  0.00000155  1.0
  B  B19  1  0.11441711  0.58081091  0.00000099  1.0
  B  B20  1  0.58081246  0.58081124  0.46639776  1.0
  B  B21  1  0.11441685  0.11441627  0.53360633  1.0
  B  B22  1  0.88558724  0.41918871  0.00000080  1.0
  B  B23  1  0.41918972  0.88558353  0.00000033  1.0