# generated using pymatgen
data_Th2B10Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20818952
_cell_length_b   5.73358177
_cell_length_c   11.45911082
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2B10Ir
_chemical_formula_sum   'Th4 B20 Ir2'
_cell_volume   276.48541122
_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  0.50000000  0.29552698  0.86461610  1.0
  Th  Th1  1  0.50000000  0.70447302  0.13538390  1.0
  Th  Th2  1  0.50000000  0.79552698  0.63538390  1.0
  Th  Th3  1  0.50000000  0.20447302  0.36461610  1.0
  B  B4  1  0.00000000  0.11809511  0.54312861  1.0
  B  B5  1  0.00000000  0.88190489  0.45687139  1.0
  B  B6  1  0.00000000  0.61809511  0.95687139  1.0
  B  B7  1  0.00000000  0.38190489  0.04312861  1.0
  B  B8  1  0.00000000  0.13749024  0.69721156  1.0
  B  B9  1  0.00000000  0.86250976  0.30278844  1.0
  B  B10  1  0.30215719  0.21626330  0.11912157  1.0
  B  B11  1  0.30215719  0.78373670  0.88087843  1.0
  B  B12  1  0.69784281  0.71626330  0.38087843  1.0
  B  B13  1  0.69784281  0.28373670  0.61912157  1.0
  B  B14  1  0.69784281  0.78373670  0.88087843  1.0
  B  B15  1  0.69784281  0.21626330  0.11912157  1.0
  B  B16  1  0.30215719  0.28373670  0.61912157  1.0
  B  B17  1  0.30215719  0.71626330  0.38087843  1.0
  B  B18  1  0.00000000  0.05389737  0.19324861  1.0
  B  B19  1  0.00000000  0.94610263  0.80675139  1.0
  B  B20  1  0.00000000  0.55389737  0.30675139  1.0
  B  B21  1  0.00000000  0.44610263  0.69324861  1.0
  B  B22  1  0.00000000  0.36250976  0.19721156  1.0
  B  B23  1  0.00000000  0.63749024  0.80278844  1.0
  Ir  Ir24  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir25  1  0.00000000  0.00000000  0.00000000  1.0