# generated using pymatgen
data_ThNi10(B3Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19467325
_cell_length_b   6.06723946
_cell_length_c   6.06723934
_cell_angle_alpha   104.09347164
_cell_angle_beta   104.35493957
_cell_angle_gamma   104.35495566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi10(B3Ir)2
_chemical_formula_sum   'Th1 Ni10 B6 Ir2'
_cell_volume   202.40338990
_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
  Th  Th0  1  1.00000000  0.99583199  0.00416801  1.0
  Ni  Ni1  1  0.50000000  0.86903152  0.13096848  1.0
  Ni  Ni2  1  0.86568444  0.49558442  0.14109853  1.0
  Ni  Ni3  1  0.50000000  0.13469574  0.86530426  1.0
  Ni  Ni4  1  0.13431556  0.85890147  0.50441558  1.0
  Ni  Ni5  1  0.79910711  0.54591070  0.54036112  1.0
  Ni  Ni6  1  0.54757095  0.54312960  0.81321128  1.0
  Ni  Ni7  1  0.53938368  0.81017468  0.54233919  1.0
  Ni  Ni8  1  0.20089289  0.45963888  0.45408930  1.0
  Ni  Ni9  1  0.46061632  0.45766081  0.18982532  1.0
  Ni  Ni10  1  0.45242905  0.18678872  0.45687040  1.0
  B  B11  1  0.35274516  0.77451501  0.76887619  1.0
  B  B12  1  0.76450986  0.75802478  0.33319293  1.0
  B  B13  1  0.76307867  0.34551278  0.77295172  1.0
  B  B14  1  0.64725484  0.23112381  0.22548499  1.0
  B  B15  1  0.23692133  0.22704828  0.65448722  1.0
  B  B16  1  0.23549014  0.66680707  0.24197522  1.0
  Ir  Ir17  1  0.86462355  0.12800594  0.48838720  1.0
  Ir  Ir18  1  0.13537645  0.51161280  0.87199406  1.0