# generated using pymatgen
data_TbB9N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50936163
_cell_length_b   5.50936227
_cell_length_c   7.59182389
_cell_angle_alpha   111.27522379
_cell_angle_beta   68.72477459
_cell_angle_gamma   119.99999021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbB9N
_chemical_formula_sum   'Tb2 B18 N2'
_cell_volume   181.20193447
_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  0.29796844  0.70203056  0.10609369  1.0
  Tb  Tb1  1  0.70202956  0.29796944  0.89390631  1.0
  B  B2  1  0.17877212  0.14242893  0.10608573  1.0
  B  B3  1  0.85757207  0.14242793  0.10608573  1.0
  B  B4  1  0.85757207  0.82122888  0.10608573  1.0
  B  B5  1  0.35192875  0.32363558  0.29534142  1.0
  B  B6  1  0.67636542  0.32363458  0.29534142  1.0
  B  B7  1  0.67636542  0.64807225  0.29534142  1.0
  B  B8  1  0.33684961  0.13403481  0.46033659  1.0
  B  B9  1  0.33684961  0.66315039  0.46033659  1.0
  B  B10  1  0.86596419  0.66315039  0.46033659  1.0
  B  B11  1  0.13403481  0.33684961  0.53966441  1.0
  B  B12  1  0.66315039  0.33684961  0.53966441  1.0
  B  B13  1  0.66315039  0.86596519  0.53966441  1.0
  B  B14  1  0.32363558  0.35192875  0.70465858  1.0
  B  B15  1  0.32363558  0.67636542  0.70465858  1.0
  B  B16  1  0.64807025  0.67636442  0.70465858  1.0
  B  B17  1  0.14242893  0.17877212  0.89391427  1.0
  B  B18  1  0.14242893  0.85757207  0.89391427  1.0
  B  B19  1  0.82122888  0.85757207  0.89391427  1.0
  N  N20  1  0.18854725  0.81145175  0.43435726  1.0
  N  N21  1  0.81145175  0.18854725  0.56564274  1.0