# generated using pymatgen
data_Ba2CaCeGd2Ti2(CuO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90459337
_cell_length_b   3.90459337
_cell_length_c   20.75238690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaCeGd2Ti2(CuO7)2
_chemical_formula_sum   'Ba2 Ca1 Ce1 Gd2 Ti2 Cu2 O14'
_cell_volume   316.38776506
_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  0.75000000  0.75000000  0.75540768  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.24150000  1.0
  Ca  Ca2  1  0.75000000  0.75000000  0.56559244  1.0
  Ce  Ce3  1  0.25000000  0.25000000  0.05965155  1.0
  Gd  Gd4  1  0.25000000  0.25000000  0.43975474  1.0
  Gd  Gd5  1  0.75000000  0.75000000  0.93651859  1.0
  Ti  Ti6  1  0.25000000  0.25000000  0.64785179  1.0
  Ti  Ti7  1  0.75000000  0.75000000  0.35264895  1.0
  Cu  Cu8  1  0.25000000  0.25000000  0.85305409  1.0
  Cu  Cu9  1  0.75000000  0.75000000  0.14473587  1.0
  O  O10  1  0.25000000  0.25000000  0.73766265  1.0
  O  O11  1  0.75000000  0.75000000  0.26283867  1.0
  O  O12  1  0.75000000  0.25000000  0.63972879  1.0
  O  O13  1  0.25000000  0.75000000  0.63972879  1.0
  O  O14  1  0.25000000  0.75000000  0.36153913  1.0
  O  O15  1  0.75000000  0.25000000  0.36153913  1.0
  O  O16  1  0.25000000  0.25000000  0.54178160  1.0
  O  O17  1  0.75000000  0.75000000  0.45341355  1.0
  O  O18  1  0.75000000  0.25000000  0.00229565  1.0
  O  O19  1  0.25000000  0.75000000  0.00229565  1.0
  O  O20  1  0.75000000  0.25000000  0.86358876  1.0
  O  O21  1  0.25000000  0.75000000  0.86358876  1.0
  O  O22  1  0.25000000  0.75000000  0.13664159  1.0
  O  O23  1  0.75000000  0.25000000  0.13664159  1.0