# generated using pymatgen
data_Ba4Sc(CuO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97255172
_cell_length_b   7.97255172
_cell_length_c   7.97255172
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sc(CuO3)3
_chemical_formula_sum   'Ba8 Sc2 Cu6 O18'
_cell_volume   506.74799095
_cell_formula_units_Z   2
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  0.25000000  0.25000000  0.25000000  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.25000000  1.0
  Ba  Ba2  1  0.75000000  0.25000000  0.75000000  1.0
  Ba  Ba3  1  0.25000000  0.75000000  0.75000000  1.0
  Ba  Ba4  1  0.25000000  0.75000000  0.25000000  1.0
  Ba  Ba5  1  0.75000000  0.25000000  0.25000000  1.0
  Ba  Ba6  1  0.25000000  0.25000000  0.75000000  1.0
  Ba  Ba7  1  0.75000000  0.75000000  0.75000000  1.0
  Sc  Sc8  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc9  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu10  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu12  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu13  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu14  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu15  1  0.00000000  0.50000000  0.50000000  1.0
  O  O16  1  0.00000000  0.50000000  0.25000000  1.0
  O  O17  1  0.50000000  0.50000000  0.23343618  1.0
  O  O18  1  0.23343618  0.50000000  0.50000000  1.0
  O  O19  1  0.50000000  0.75000000  0.00000000  1.0
  O  O20  1  0.25000000  0.00000000  0.50000000  1.0
  O  O21  1  0.75000000  0.00000000  0.50000000  1.0
  O  O22  1  0.50000000  0.25000000  0.00000000  1.0
  O  O23  1  0.00000000  0.00000000  0.26656382  1.0
  O  O24  1  0.00000000  0.00000000  0.73343618  1.0
  O  O25  1  0.00000000  0.26656382  0.00000000  1.0
  O  O26  1  0.50000000  0.76656382  0.50000000  1.0
  O  O27  1  0.26656382  0.00000000  0.00000000  1.0
  O  O28  1  0.73343618  0.00000000  0.00000000  1.0
  O  O29  1  0.50000000  0.23343618  0.50000000  1.0
  O  O30  1  0.00000000  0.50000000  0.75000000  1.0
  O  O31  1  0.50000000  0.50000000  0.76656382  1.0
  O  O32  1  0.76656382  0.50000000  0.50000000  1.0
  O  O33  1  0.00000000  0.73343618  0.00000000  1.0