# generated using pymatgen
data_Mn2Nb12(AlCu)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68884708
_cell_length_b   8.67932360
_cell_length_c   8.06817727
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.23250031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Nb12(AlCu)11
_chemical_formula_sum   'Mn2 Nb12 Al11 Cu11'
_cell_volume   525.69257856
_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
  Mn  Mn0  1  0.99983171  0.00231920  0.50127392  1.0
  Mn  Mn1  1  0.99983171  0.00231920  0.99872608  1.0
  Nb  Nb2  1  0.33072448  0.99722098  0.06528468  1.0
  Nb  Nb3  1  0.66787523  0.00099917  0.93484932  1.0
  Nb  Nb4  1  0.99898214  0.33274169  0.06295036  1.0
  Nb  Nb5  1  0.66787523  0.00099917  0.56515068  1.0
  Nb  Nb6  1  0.99898214  0.33274169  0.43704964  1.0
  Nb  Nb7  1  0.00225300  0.66777256  0.93522296  1.0
  Nb  Nb8  1  0.33072448  0.99722098  0.43471532  1.0
  Nb  Nb9  1  0.00225300  0.66777256  0.56477704  1.0
  Nb  Nb10  1  0.66615391  0.66566332  0.06489216  1.0
  Nb  Nb11  1  0.33395380  0.33264196  0.93525635  1.0
  Nb  Nb12  1  0.33395380  0.33264196  0.56474365  1.0
  Nb  Nb13  1  0.66615391  0.66566332  0.43510784  1.0
  Al  Al14  1  0.15801281  0.65599245  0.25000000  1.0
  Al  Al15  1  0.33972947  0.66614928  0.50721683  1.0
  Al  Al16  1  0.66640703  0.33274338  0.49964611  1.0
  Al  Al17  1  0.66640703  0.33274338  0.00035389  1.0
  Al  Al18  1  0.33972947  0.66614928  0.99278317  1.0
  Al  Al19  1  0.18335477  0.00057782  0.75000000  1.0
  Al  Al20  1  0.81523661  0.00113977  0.25000000  1.0
  Al  Al21  1  0.00119864  0.18392216  0.75000000  1.0
  Al  Al22  1  0.99238108  0.82184714  0.25000000  1.0
  Al  Al23  1  0.81882998  0.81724984  0.75000000  1.0
  Al  Al24  1  0.18232876  0.18434305  0.25000000  1.0
  Cu  Cu25  1  0.16344955  0.50002488  0.75000000  1.0
  Cu  Cu26  1  0.83500479  0.50122352  0.25000000  1.0
  Cu  Cu27  1  0.50311901  0.66239894  0.75000000  1.0
  Cu  Cu28  1  0.50066558  0.16370788  0.75000000  1.0
  Cu  Cu29  1  0.49824913  0.33543931  0.25000000  1.0
  Cu  Cu30  1  0.49704796  0.83522681  0.25000000  1.0
  Cu  Cu31  1  0.33874685  0.83883388  0.75000000  1.0
  Cu  Cu32  1  0.66474198  0.49982597  0.75000000  1.0
  Cu  Cu33  1  0.66067929  0.16241682  0.25000000  1.0
  Cu  Cu34  1  0.33785700  0.50221523  0.25000000  1.0
  Cu  Cu35  1  0.83727167  0.33711345  0.75000000  1.0