# generated using pymatgen
data_ThB2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46229239
_cell_length_b   5.46229163
_cell_length_c   3.25197657
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThB2Ir3
_chemical_formula_sum   'Th1 B2 Ir3'
_cell_volume   84.02876364
_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  -0.00000000  -0.00000000  1.0
  B  B1  1  0.66666700  0.33333300  0.00000000  1.0
  B  B2  1  0.33333300  0.66666700  -0.00000000  1.0
  Ir  Ir3  1  0.50000000  -0.00000000  0.50000000  1.0
  Ir  Ir4  1  -0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0