# generated using pymatgen
data_Th2(B2Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80247317
_cell_length_b   6.05196884
_cell_length_c   6.05196845
_cell_angle_alpha   94.39895068
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2(B2Ir)3
_chemical_formula_sum   'Th2 B6 Ir3'
_cell_volume   138.86034670
_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  0.00000000  0.26915918  0.73084082  1.0
  Th  Th1  1  0.00000000  0.73084082  0.26915918  1.0
  B  B2  1  0.50000000  0.91120442  0.61550592  1.0
  B  B3  1  0.50000000  0.08879558  0.38449408  1.0
  B  B4  1  0.50000000  0.61550592  0.91120442  1.0
  B  B5  1  0.50000000  0.38449408  0.08879558  1.0
  B  B6  1  0.50000000  0.60834727  0.60834727  1.0
  B  B7  1  0.50000000  0.39165273  0.39165273  1.0
  Ir  Ir8  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir9  1  0.00000000  0.76319926  0.76319926  1.0
  Ir  Ir10  1  0.00000000  0.23680074  0.23680074  1.0