# generated using pymatgen
data_Ta3Al2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33301560
_cell_length_b   8.33301529
_cell_length_c   8.33301429
_cell_angle_alpha   60.00000008
_cell_angle_beta   60.00000133
_cell_angle_gamma   59.99999964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Al2BIr
_chemical_formula_sum   'Ta12 Al8 B4 Ir4'
_cell_volume   409.15843201
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.55754036  0.94245964  0.55754036  1.0
  Ta  Ta1  1  0.30754036  0.69245964  0.69245964  1.0
  Ta  Ta2  1  0.69245964  0.30754036  0.30754036  1.0
  Ta  Ta3  1  0.30754036  0.69245964  0.30754036  1.0
  Ta  Ta4  1  0.69245964  0.69245964  0.30754036  1.0
  Ta  Ta5  1  0.30754036  0.30754036  0.69245964  1.0
  Ta  Ta6  1  0.55754036  0.55754036  0.94245964  1.0
  Ta  Ta7  1  0.94245964  0.55754036  0.55754036  1.0
  Ta  Ta8  1  0.55754036  0.94245964  0.94245964  1.0
  Ta  Ta9  1  0.94245964  0.94245964  0.55754036  1.0
  Ta  Ta10  1  0.69245964  0.30754036  0.69245964  1.0
  Ta  Ta11  1  0.94245964  0.55754036  0.94245964  1.0
  Al  Al12  1  0.91659564  0.91659564  0.91659564  1.0
  Al  Al13  1  0.99978492  0.33340436  0.33340436  1.0
  Al  Al14  1  0.33340436  0.99978492  0.33340436  1.0
  Al  Al15  1  0.33340436  0.33340436  0.99978492  1.0
  Al  Al16  1  0.91659564  0.25021508  0.91659564  1.0
  Al  Al17  1  0.91659564  0.91659564  0.25021508  1.0
  Al  Al18  1  0.25021508  0.91659564  0.91659564  1.0
  Al  Al19  1  0.33340436  0.33340436  0.33340436  1.0
  B  B20  1  0.62500000  0.62500000  0.62500000  1.0
  B  B21  1  0.12500000  0.62500000  0.62500000  1.0
  B  B22  1  0.62500000  0.12500000  0.62500000  1.0
  B  B23  1  0.62500000  0.62500000  0.12500000  1.0
  Ir  Ir24  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir25  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir26  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir27  1  0.12500000  0.12500000  0.62500000  1.0