# generated using pymatgen
data_Ta3Al2RuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21767576
_cell_length_b   8.21767682
_cell_length_c   8.21767573
_cell_angle_alpha   60.00000439
_cell_angle_beta   60.00000011
_cell_angle_gamma   60.00000207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Al2RuN
_chemical_formula_sum   'Ta12 Al8 Ru4 N4'
_cell_volume   392.40278668
_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  0.56090811  0.93909189  0.56090811  1.0
  Ta  Ta1  1  0.31090811  0.68909189  0.68909189  1.0
  Ta  Ta2  1  0.68909189  0.31090811  0.31090811  1.0
  Ta  Ta3  1  0.31090811  0.68909189  0.31090811  1.0
  Ta  Ta4  1  0.68909189  0.68909189  0.31090811  1.0
  Ta  Ta5  1  0.31090811  0.31090811  0.68909189  1.0
  Ta  Ta6  1  0.56090811  0.56090811  0.93909189  1.0
  Ta  Ta7  1  0.93909189  0.56090811  0.56090811  1.0
  Ta  Ta8  1  0.56090811  0.93909189  0.93909189  1.0
  Ta  Ta9  1  0.93909189  0.93909189  0.56090811  1.0
  Ta  Ta10  1  0.68909189  0.31090811  0.68909189  1.0
  Ta  Ta11  1  0.93909189  0.56090811  0.93909189  1.0
  Al  Al12  1  0.91692408  0.91692408  0.91692408  1.0
  Al  Al13  1  0.00077025  0.33307592  0.33307592  1.0
  Al  Al14  1  0.33307592  0.00077025  0.33307592  1.0
  Al  Al15  1  0.33307592  0.33307592  0.00077025  1.0
  Al  Al16  1  0.91692408  0.24922975  0.91692408  1.0
  Al  Al17  1  0.91692408  0.91692408  0.24922975  1.0
  Al  Al18  1  0.24922975  0.91692408  0.91692408  1.0
  Al  Al19  1  0.33307592  0.33307592  0.33307592  1.0
  Ru  Ru20  1  0.12500000  0.12500000  0.12500000  1.0
  Ru  Ru21  1  0.62500000  0.12500000  0.12500000  1.0
  Ru  Ru22  1  0.12500000  0.62500000  0.12500000  1.0
  Ru  Ru23  1  0.12500000  0.12500000  0.62500000  1.0
  N  N24  1  0.62500000  0.62500000  0.62500000  1.0
  N  N25  1  0.12500000  0.62500000  0.62500000  1.0
  N  N26  1  0.62500000  0.12500000  0.62500000  1.0
  N  N27  1  0.62500000  0.62500000  0.12500000  1.0