# generated using pymatgen
data_Th2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03337623
_cell_length_b   7.03337595
_cell_length_c   7.03337642
_cell_angle_alpha   111.50550779
_cell_angle_beta   113.11968183
_cell_angle_gamma   103.93118152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2NiB8Ir
_chemical_formula_sum   'Th4 Ni2 B16 Ir2'
_cell_volume   265.92415887
_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  0.79105150  0.79105150  1.00000000  1.0
  Th  Th1  1  0.20894850  0.20894850  0.00000000  1.0
  Th  Th2  1  0.75166358  0.25166358  0.50000000  1.0
  Th  Th3  1  0.24833642  0.74833642  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.74018800  0.24018800  1.0
  Ni  Ni5  1  0.50000000  0.25981200  0.75981200  1.0
  B  B6  1  0.27132147  0.10875316  0.38007563  1.0
  B  B7  1  0.72867853  0.89124684  0.61992437  1.0
  B  B8  1  0.27132147  0.89124684  0.16256731  1.0
  B  B9  1  0.72867853  0.10875316  0.83743269  1.0
  B  B10  1  0.11095919  0.73144847  0.84240866  1.0
  B  B11  1  0.88904081  0.26855153  0.15759134  1.0
  B  B12  1  0.11095919  0.26855153  0.37951073  1.0
  B  B13  1  0.88904081  0.73144847  0.62048927  1.0
  B  B14  1  0.11567344  0.11029516  0.52914153  1.0
  B  B15  1  0.58115363  0.58653191  0.47085847  1.0
  B  B16  1  0.11567344  0.58653191  0.00537828  1.0
  B  B17  1  0.58115363  0.11029516  0.99462172  1.0
  B  B18  1  0.88432656  0.88970484  0.47085847  1.0
  B  B19  1  0.41884637  0.41346809  0.52914153  1.0
  B  B20  1  0.88432756  0.41346809  0.99462172  1.0
  B  B21  1  0.41884637  0.88970584  0.00537828  1.0
  Ir  Ir22  1  0.27480595  0.50000000  0.77480595  1.0
  Ir  Ir23  1  0.72519405  0.50000000  0.22519405  1.0