# generated using pymatgen
data_Ba6Nd2Y(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94121300
_cell_length_b   3.91130700
_cell_length_c   41.45025831
_cell_angle_alpha   87.29573861
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Nd2Y(CuO2)12
_chemical_formula_sum   'Ba6 Nd2 Y1 Cu12 O24'
_cell_volume   638.25634328
_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  0.50000000  0.45453200  0.09093700  1.0
  Ba  Ba1  1  0.50000000  0.78774400  0.42451100  1.0
  Ba  Ba2  1  0.50000000  0.12112700  0.75774800  1.0
  Ba  Ba3  1  0.50000000  0.87887300  0.24225200  1.0
  Ba  Ba4  1  0.50000000  0.21225600  0.57548900  1.0
  Ba  Ba5  1  0.50000000  0.54546800  0.90906300  1.0
  Nd  Nd6  1  0.50000000  0.83334700  0.33330600  1.0
  Nd  Nd7  1  0.50000000  0.16665300  0.66669400  1.0
  Y  Y8  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu9  1  0.00000000  0.97915500  0.04168900  1.0
  Cu  Cu10  1  0.00000000  0.31203000  0.37593900  1.0
  Cu  Cu11  1  0.00000000  0.64537900  0.70924300  1.0
  Cu  Cu12  1  0.00000000  0.35462100  0.29075700  1.0
  Cu  Cu13  1  0.00000000  0.68797000  0.62406100  1.0
  Cu  Cu14  1  0.00000000  0.02084500  0.95831100  1.0
  Cu  Cu15  1  0.00000000  0.92914600  0.14170700  1.0
  Cu  Cu16  1  0.00000000  0.26246700  0.47506500  1.0
  Cu  Cu17  1  0.00000000  0.59578800  0.80842400  1.0
  Cu  Cu18  1  0.00000000  0.40421200  0.19157600  1.0
  Cu  Cu19  1  0.00000000  0.73753300  0.52493400  1.0
  Cu  Cu20  1  0.00000000  0.07085400  0.85829300  1.0
  O  O21  1  0.00000000  0.95150700  0.09698500  1.0
  O  O22  1  0.00000000  0.28472500  0.43054900  1.0
  O  O23  1  0.00000000  0.61805600  0.76388800  1.0
  O  O24  1  0.00000000  0.38194400  0.23611200  1.0
  O  O25  1  0.00000000  0.71527500  0.56945100  1.0
  O  O26  1  0.00000000  0.04849300  0.90301500  1.0
  O  O27  1  0.00000000  0.42718000  0.14564200  1.0
  O  O28  1  0.00000000  0.76043700  0.47912500  1.0
  O  O29  1  0.00000000  0.09378600  0.81242700  1.0
  O  O30  1  0.00000000  0.90621400  0.18757300  1.0
  O  O31  1  0.00000000  0.23956300  0.52087500  1.0
  O  O32  1  0.00000000  0.57282000  0.85435800  1.0
  O  O33  1  0.50000000  0.98241100  0.03517800  1.0
  O  O34  1  0.50000000  0.31477500  0.37045100  1.0
  O  O35  1  0.50000000  0.64810000  0.70380100  1.0
  O  O36  1  0.50000000  0.35190000  0.29619900  1.0
  O  O37  1  0.50000000  0.68522500  0.62954900  1.0
  O  O38  1  0.50000000  0.01758900  0.96482200  1.0
  O  O39  1  0.00000000  0.48271700  0.03456800  1.0
  O  O40  1  0.00000000  0.81503900  0.36992300  1.0
  O  O41  1  0.00000000  0.14837500  0.70325000  1.0
  O  O42  1  0.00000000  0.85162500  0.29675000  1.0
  O  O43  1  0.00000000  0.18496100  0.63007700  1.0
  O  O44  1  0.00000000  0.51728300  0.96543200  1.0