# generated using pymatgen
data_Ta6Al3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97424096
_cell_length_b   6.97153239
_cell_length_c   6.98080656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.14713616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Al3CuN2
_chemical_formula_sum   'Ta12 Al6 Cu2 N4'
_cell_volume   339.41370097
_cell_formula_units_Z   2
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  0.79236051  0.95583244  0.37502014  1.0
  Ta  Ta1  1  0.70763949  0.04416756  0.87502014  1.0
  Ta  Ta2  1  0.20354791  0.45573600  0.12706663  1.0
  Ta  Ta3  1  0.29645209  0.54426400  0.62706663  1.0
  Ta  Ta4  1  0.95563632  0.37749639  0.79328041  1.0
  Ta  Ta5  1  0.04340463  0.87019305  0.70595064  1.0
  Ta  Ta6  1  0.45659537  0.12980695  0.20595064  1.0
  Ta  Ta7  1  0.54436368  0.62250361  0.29328041  1.0
  Ta  Ta8  1  0.37687167  0.79358074  0.95502794  1.0
  Ta  Ta9  1  0.87254031  0.70593742  0.04367394  1.0
  Ta  Ta10  1  0.12312833  0.20641926  0.45502794  1.0
  Ta  Ta11  1  0.62745969  0.29406258  0.54367394  1.0
  Al  Al12  1  0.82342067  0.32118043  0.17654557  1.0
  Al  Al13  1  0.67657933  0.67881957  0.67654557  1.0
  Al  Al14  1  0.56230199  0.41949180  0.92499662  1.0
  Al  Al15  1  0.41681269  0.93358104  0.57156101  1.0
  Al  Al16  1  0.93769801  0.58050820  0.42499662  1.0
  Al  Al17  1  0.08318731  0.06641896  0.07156101  1.0
  Cu  Cu18  1  0.18062354  0.82194563  0.31989154  1.0
  Cu  Cu19  1  0.31937646  0.17805437  0.81989154  1.0
  N  N20  1  0.87870363  0.12296774  0.62751754  1.0
  N  N21  1  0.62129637  0.87703226  0.12751754  1.0
  N  N22  1  0.12685049  0.62445842  0.87946903  1.0
  N  N23  1  0.37314951  0.37554158  0.37946903  1.0