# generated using pymatgen
data_Ta3Al2IrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27127065
_cell_length_b   8.27127065
_cell_length_c   8.27130528
_cell_angle_alpha   60.00022408
_cell_angle_beta   60.00022409
_cell_angle_gamma   60.00021471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Al2IrC
_chemical_formula_sum   'Ta12 Al8 Ir4 C4'
_cell_volume   400.13421819
_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  0.56336624  0.93662792  0.56336686  1.0
  Ta  Ta1  1  0.31337208  0.68663376  0.68663314  1.0
  Ta  Ta2  1  0.68663610  0.31335545  0.31337060  1.0
  Ta  Ta3  1  0.31335545  0.68663610  0.31337060  1.0
  Ta  Ta4  1  0.68663531  0.68663531  0.31337533  1.0
  Ta  Ta5  1  0.31336708  0.31336708  0.68663429  1.0
  Ta  Ta6  1  0.56336469  0.56336469  0.93662467  1.0
  Ta  Ta7  1  0.93662792  0.56336624  0.56336686  1.0
  Ta  Ta8  1  0.56336390  0.93664455  0.93662940  1.0
  Ta  Ta9  1  0.93663292  0.93663292  0.56336571  1.0
  Ta  Ta10  1  0.68663376  0.31337208  0.68663314  1.0
  Ta  Ta11  1  0.93664455  0.56336390  0.93662940  1.0
  Al  Al12  1  0.91694144  0.91694144  0.91694091  1.0
  Al  Al13  1  0.00082440  0.33305880  0.33305943  1.0
  Al  Al14  1  0.33305880  0.00082440  0.33305943  1.0
  Al  Al15  1  0.33305840  0.33305840  0.00082601  1.0
  Al  Al16  1  0.91694120  0.24917560  0.91694057  1.0
  Al  Al17  1  0.91694160  0.91694160  0.24917399  1.0
  Al  Al18  1  0.24917560  0.91694120  0.91694057  1.0
  Al  Al19  1  0.33305856  0.33305856  0.33305909  1.0
  Ir  Ir20  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir21  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir22  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir23  1  0.12500000  0.12500000  0.62500000  1.0
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0