# generated using pymatgen
data_Ba4LiY2Cu5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50372501
_cell_length_b   5.50372501
_cell_length_c   12.50736570
_cell_angle_alpha   77.52371200
_cell_angle_beta   77.52371200
_cell_angle_gamma   90.97640653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiY2Cu5O14
_chemical_formula_sum   'Ba4 Li1 Y2 Cu5 O14'
_cell_volume   360.37105583
_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  0.90484900  0.40468000  0.18725500  1
  Ba  Ba1  1  0.59066700  0.09206900  0.81807400  1
  Ba  Ba2  1  0.40468000  0.90484900  0.18725500  1
  Ba  Ba3  1  0.09206900  0.59066700  0.81807400  1
  Li  Li4  1  0.82957200  0.82957200  0.33683100  1
  Y  Y5  1  0.75045600  0.24880500  0.49743500  1
  Y  Y6  1  0.24880500  0.75045600  0.49743500  1
  Cu  Cu7  1  0.99866100  0.99866100  0.00272400  1
  Cu  Cu8  1  0.49898500  0.49898500  0.99985800  1
  Cu  Cu9  1  0.17632700  0.17632700  0.64666000  1
  Cu  Cu10  1  0.67656200  0.67656200  0.64567900  1
  Cu  Cu11  1  0.31174200  0.31174200  0.37171600  1
  O  O12  1  0.73634800  0.23584900  0.00125300  1
  O  O13  1  0.54684700  0.06812900  0.38083300  1
  O  O14  1  0.42207800  0.42207800  0.15511400  1
  O  O15  1  0.06514300  0.06514300  0.38149500  1
  O  O16  1  0.23584900  0.73634800  0.00125300  1
  O  O17  1  0.93617400  0.43767300  0.62141700  1
  O  O18  1  0.06812900  0.54684700  0.38083300  1
  O  O19  1  0.08117800  0.08117800  0.84482600  1
  O  O20  1  0.92125500  0.92125500  0.16117100  1
  O  O21  1  0.43823100  0.43823100  0.62307500  1
  O  O22  1  0.54974800  0.54974800  0.38160800  1
  O  O23  1  0.43767300  0.93617400  0.62141700  1
  O  O24  1  0.58232500  0.58232500  0.84273900  1
  O  O25  1  0.93749400  0.93749400  0.62335600  1
