# generated using pymatgen
data_Ba4Ca8Cu11CO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.13545028
_cell_length_b   21.13545028
_cell_length_c   21.13545028
_cell_angle_alpha   164.89353081
_cell_angle_beta   164.89353081
_cell_angle_gamma   21.42658364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ca8Cu11CO20
_chemical_formula_sum   'Ba4 Ca8 Cu11 C1 O20'
_cell_volume   641.15236898
_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  0.44640300  0.94640300  0.50000000  1.0
  Ba  Ba1  1  0.94640300  0.44640300  0.50000000  1.0
  Ba  Ba2  1  0.05359700  0.55359700  0.50000000  1.0
  Ba  Ba3  1  0.55359700  0.05359700  0.50000000  1.0
  Ca  Ca4  1  0.36313000  0.86313000  0.50000000  1.0
  Ca  Ca5  1  0.86313000  0.36313000  0.50000000  1.0
  Ca  Ca6  1  0.13687000  0.63687000  0.50000000  1.0
  Ca  Ca7  1  0.63687000  0.13687000  0.50000000  1.0
  Ca  Ca8  1  0.28761700  0.78761700  0.50000000  1.0
  Ca  Ca9  1  0.78761700  0.28761700  0.50000000  1.0
  Ca  Ca10  1  0.21238300  0.71238300  0.50000000  1.0
  Ca  Ca11  1  0.71238300  0.21238300  0.50000000  1.0
  Cu  Cu12  1  0.82573900  0.82573900  0.00000000  1.0
  Cu  Cu13  1  0.32581300  0.32581300  0.00000000  1.0
  Cu  Cu14  1  0.67418700  0.67418700  0.00000000  1.0
  Cu  Cu15  1  0.17426100  0.17426100  0.00000000  1.0
  Cu  Cu16  1  0.90080400  0.90080400  0.00000000  1.0
  Cu  Cu17  1  0.40075700  0.40075700  0.00000000  1.0
  Cu  Cu18  1  0.59924300  0.59924300  0.00000000  1.0
  Cu  Cu19  1  0.09919600  0.09919600  0.00000000  1.0
  Cu  Cu20  1  0.75000800  0.75000800  0.00000000  1.0
  Cu  Cu21  1  0.24999200  0.24999200  0.00000000  1.0
  Cu  Cu22  1  0.00000000  0.00000000  0.00000000  1.0
  C  C23  1  0.50000000  0.50000000  0.00000000  1.0
  O  O24  1  0.15328900  0.15328900  0.49956900  1.0
  O  O25  1  0.65372100  0.65372100  0.50043100  1.0
  O  O26  1  0.15328900  0.65372100  0.00000000  1.0
  O  O27  1  0.65372100  0.15328900  0.00000000  1.0
  O  O28  1  0.84671100  0.84671100  0.50043100  1.0
  O  O29  1  0.34627900  0.34627900  0.49956900  1.0
  O  O30  1  0.84671100  0.34627900  0.00000000  1.0
  O  O31  1  0.34627900  0.84671100  0.00000000  1.0
  O  O32  1  0.00000000  0.00000000  0.50000000  1.0
  O  O33  1  0.50000000  0.50000000  0.50000000  1.0
  O  O34  1  0.00000000  0.50000000  0.00000000  1.0
  O  O35  1  0.50000000  0.00000000  0.00000000  1.0
  O  O36  1  0.07611500  0.07611500  0.49943800  1.0
  O  O37  1  0.57667700  0.57667700  0.50056200  1.0
  O  O38  1  0.07611500  0.57667700  0.00000000  1.0
  O  O39  1  0.57667700  0.07611500  0.00000000  1.0
  O  O40  1  0.92388500  0.92388500  0.50056200  1.0
  O  O41  1  0.42332300  0.42332300  0.49943800  1.0
  O  O42  1  0.92388500  0.42332300  0.00000000  1.0
  O  O43  1  0.42332300  0.92388500  0.00000000  1.0