# generated using pymatgen
data_TbTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91866424
_cell_length_b   6.91866508
_cell_length_c   6.91866396
_cell_angle_alpha   112.75530723
_cell_angle_beta   112.75531140
_cell_angle_gamma   103.08563384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTh3(NiB4)4
_chemical_formula_sum   'Tb1 Th3 Ni4 B16'
_cell_volume   252.60545368
_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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.20500642  0.20500642  1.00000000  1.0
  Th  Th2  1  0.79499358  0.79499358  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni4  1  0.49862153  0.27032638  0.77170485  1.0
  Ni  Ni5  1  0.49862153  0.72691568  0.22829515  1.0
  Ni  Ni6  1  0.72967362  0.50137847  0.22829515  1.0
  Ni  Ni7  1  0.27308432  0.50137847  0.77170485  1.0
  B  B8  1  0.11104726  0.27393090  0.38584704  1.0
  B  B9  1  0.88808386  0.72520023  0.61415296  1.0
  B  B10  1  0.88808386  0.27393090  0.16288463  1.0
  B  B11  1  0.11104726  0.72520023  0.83711537  1.0
  B  B12  1  0.72606910  0.88895274  0.61415296  1.0
  B  B13  1  0.27479977  0.11191614  0.38584704  1.0
  B  B14  1  0.72606910  0.11191614  0.83711537  1.0
  B  B15  1  0.27479977  0.88895274  0.16288463  1.0
  B  B16  1  0.41718012  0.41949507  0.53261330  1.0
  B  B17  1  0.88688277  0.88456782  0.46738670  1.0
  B  B18  1  0.58050493  0.11311723  0.99768505  1.0
  B  B19  1  0.11543218  0.58281988  0.00231495  1.0
  B  B20  1  0.58050493  0.58281988  0.46738670  1.0
  B  B21  1  0.11543218  0.11311723  0.53261330  1.0
  B  B22  1  0.88688277  0.41949507  0.00231495  1.0
  B  B23  1  0.41718012  0.88456782  0.99768505  1.0