# generated using pymatgen
data_Th2NiB8Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02147306
_cell_length_b   7.02150166
_cell_length_c   7.02147257
_cell_angle_alpha   111.35004878
_cell_angle_beta   113.27305572
_cell_angle_gamma   103.93486734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2NiB8Rh
_chemical_formula_sum   'Th4 Ni2 B16 Rh2'
_cell_volume   264.55592744
_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
  Th  Th0  1  0.79220354  0.79220319  0.99999965  1.0
  Th  Th1  1  0.20779646  0.20779681  0.00000035  1.0
  Th  Th2  1  0.75186383  0.25187065  0.50000682  1.0
  Th  Th3  1  0.24813617  0.74812935  0.49999318  1.0
  Ni  Ni4  1  0.50003762  0.74035667  0.24032005  1.0
  Ni  Ni5  1  0.49996238  0.25964333  0.75967995  1.0
  B  B6  1  0.27178776  0.10891328  0.38069882  1.0
  B  B7  1  0.72821224  0.89108672  0.61930118  1.0
  B  B8  1  0.27178454  0.89108672  0.16287448  1.0
  B  B9  1  0.72821546  0.10891328  0.83712552  1.0
  B  B10  1  0.11119151  0.73119974  0.84238308  1.0
  B  B11  1  0.88880849  0.26880026  0.15761692  1.0
  B  B12  1  0.11118434  0.26880026  0.37999078  1.0
  B  B13  1  0.88881566  0.73119974  0.62000922  1.0
  B  B14  1  0.11476794  0.10958793  0.52787811  1.0
  B  B15  1  0.58171643  0.58689264  0.47212733  1.0
  B  B16  1  0.11476632  0.58689264  0.00517621  1.0
  B  B17  1  0.58170881  0.10958793  0.99481999  1.0
  B  B18  1  0.88523206  0.89041207  0.47212189  1.0
  B  B19  1  0.41828357  0.41310736  0.52787267  1.0
  B  B20  1  0.88523368  0.41310736  0.99482379  1.0
  B  B21  1  0.41829119  0.89041207  0.00518001  1.0
  Rh  Rh22  1  0.27648102  0.50000000  0.77648102  1.0
  Rh  Rh23  1  0.72351898  0.50000000  0.22351898  1.0