# generated using pymatgen
data_Ba2Ca2NdTi2(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.04785805
_cell_length_b   18.04785805
_cell_length_c   18.04785805
_cell_angle_alpha   167.43919071
_cell_angle_beta   167.43919071
_cell_angle_gamma   17.79960687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ca2NdTi2(CuO6)2
_chemical_formula_sum   'Ba2 Ca2 Nd1 Ti2 Cu2 O12'
_cell_volume   278.01385695
_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  0.39231300  0.39231300  0.00000000  1.0
  Ba  Ba1  1  0.60768700  0.60768700  0.00000000  1.0
  Ca  Ca2  1  0.28625000  0.28625000  0.00000000  1.0
  Ca  Ca3  1  0.71375000  0.71375000  0.00000000  1.0
  Nd  Nd4  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti5  1  0.16867700  0.16867700  0.00000000  1.0
  Ti  Ti6  1  0.83132300  0.83132300  0.00000000  1.0
  Cu  Cu7  1  0.05240600  0.05240600  0.00000000  1.0
  Cu  Cu8  1  0.94759400  0.94759400  0.00000000  1.0
  O  O9  1  0.22264700  0.22264700  0.00000000  1.0
  O  O10  1  0.77735300  0.77735300  0.00000000  1.0
  O  O11  1  0.11114900  0.11114900  0.00000000  1.0
  O  O12  1  0.88885100  0.88885100  0.00000000  1.0
  O  O13  1  0.54215800  0.04215800  0.50000000  1.0
  O  O14  1  0.45784200  0.95784200  0.50000000  1.0
  O  O15  1  0.04215800  0.54215800  0.50000000  1.0
  O  O16  1  0.95784200  0.45784200  0.50000000  1.0
  O  O17  1  0.66845100  0.16845100  0.50000000  1.0
  O  O18  1  0.33154900  0.83154900  0.50000000  1.0
  O  O19  1  0.16845100  0.66845100  0.50000000  1.0
  O  O20  1  0.83154900  0.33154900  0.50000000  1.0