# generated using pymatgen
data_Th2B(Ir2Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94355796
_cell_length_b   5.97304155
_cell_length_c   5.97304140
_cell_angle_alpha   60.57535060
_cell_angle_beta   60.16314015
_cell_angle_gamma   60.16314580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2B(Ir2Pd)2
_chemical_formula_sum   'Th2 B1 Ir4 Pd2'
_cell_volume   150.95633708
_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  0.74982997  0.74984718  0.75049388  1.0
  Th  Th1  1  0.25017003  0.24950612  0.25015282  1.0
  B  B2  1  0.00000000  0.01019727  0.98980273  1.0
  Ir  Ir3  1  0.74833467  0.24938284  0.25394683  1.0
  Ir  Ir4  1  0.25753682  0.25705403  0.74294597  1.0
  Ir  Ir5  1  0.74246318  0.25705403  0.74294597  1.0
  Ir  Ir6  1  0.25166533  0.74605317  0.75061716  1.0
  Pd  Pd7  1  0.74256719  0.74045268  0.25954732  1.0
  Pd  Pd8  1  0.25743281  0.74045268  0.25954732  1.0