# generated using pymatgen
data_Ba6Nd3TiCu6(MoO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81029411
_cell_length_b   8.81029411
_cell_length_c   13.20933591
_cell_angle_alpha   66.41775145
_cell_angle_beta   66.41775145
_cell_angle_gamma   36.86442221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Nd3TiCu6(MoO12)2
_chemical_formula_sum   'Ba6 Nd3 Ti1 Cu6 Mo2 O24'
_cell_volume   557.74864094
_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
  Ba  Ba0  1  0.89945401  0.89945401  0.80655256  1.0
  Ba  Ba1  1  0.22955470  0.22955470  0.80655361  1.0
  Ba  Ba2  1  0.56444553  0.56444553  0.80655637  1.0
  Ba  Ba3  1  0.10054599  0.10054599  0.19344744  1.0
  Ba  Ba4  1  0.43555447  0.43555447  0.19344363  1.0
  Ba  Ba5  1  0.77044530  0.77044530  0.19344639  1.0
  Nd  Nd6  1  0.00000000  -0.00000000  0.50000000  1.0
  Nd  Nd7  1  0.33335670  0.33335670  0.49995289  1.0
  Nd  Nd8  1  0.66664330  0.66664330  0.50004711  1.0
  Ti  Ti9  1  0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu10  1  0.11998896  0.11998896  0.64043113  1.0
  Cu  Cu11  1  0.45470612  0.45470612  0.63598669  1.0
  Cu  Cu12  1  0.78811650  0.78811650  0.63613782  1.0
  Cu  Cu13  1  0.21188350  0.21188350  0.36386218  1.0
  Cu  Cu14  1  0.54529388  0.54529388  0.36401331  1.0
  Cu  Cu15  1  0.88001104  0.88001104  0.35956887  1.0
  Mo  Mo16  1  0.66446592  0.66446592  0.99999895  1.0
  Mo  Mo17  1  0.33553408  0.33553408  0.00000105  1.0
  O  O18  1  0.79052591  0.29092378  0.62783188  1.0
  O  O19  1  0.12460460  0.62449261  0.62628765  1.0
  O  O20  1  0.45791639  0.95736864  0.62755941  1.0
  O  O21  1  0.29092378  0.79052591  0.62783188  1.0
  O  O22  1  0.62449261  0.12460460  0.62628765  1.0
  O  O23  1  0.95736864  0.45791639  0.62755941  1.0
  O  O24  1  0.87539540  0.37550739  0.37371235  1.0
  O  O25  1  0.20947409  0.70907622  0.37216812  1.0
  O  O26  1  0.54208361  0.04263136  0.37244059  1.0
  O  O27  1  0.37550739  0.87539540  0.37371235  1.0
  O  O28  1  0.70907622  0.20947409  0.37216812  1.0
  O  O29  1  0.04263136  0.54208361  0.37244059  1.0
  O  O30  1  0.00000000  0.50000000  -0.00000000  1.0
  O  O31  1  0.34091716  0.82955941  -0.00000758  1.0
  O  O32  1  0.65908284  0.17044059  0.00000758  1.0
  O  O33  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O34  1  0.82955941  0.34091716  -0.00000758  1.0
  O  O35  1  0.17044059  0.65908284  0.00000758  1.0
  O  O36  1  0.05287187  0.05287187  0.84145192  1.0
  O  O37  1  0.38266885  0.38266885  0.84254188  1.0
  O  O38  1  0.72228054  0.72228054  0.84252800  1.0
  O  O39  1  0.27771946  0.27771946  0.15747200  1.0
  O  O40  1  0.61733115  0.61733115  0.15745812  1.0
  O  O41  1  0.94712813  0.94712813  0.15854808  1.0