# generated using pymatgen
data_Ba3CaLa2(Cu3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50006966
_cell_length_b   5.50006966
_cell_length_c   11.71695500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.21761492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CaLa2(Cu3O7)2
_chemical_formula_sum   'Ba3 Ca1 La2 Cu6 O14'
_cell_volume   354.36683151
_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  0.00000000  0.00000000  0.18395500  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.18294700  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.82008500  1.0
  Ca  Ca3  1  0.50000000  0.50000000  0.49884000  1.0
  La  La4  1  0.50000000  0.50000000  0.80539600  1.0
  La  La5  1  0.00000000  0.00000000  0.50348600  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.35117100  1.0
  Cu  Cu7  1  0.50000000  0.00000000  0.35117100  1.0
  Cu  Cu8  1  0.00000000  0.50000000  0.65200500  1.0
  Cu  Cu9  1  0.50000000  0.00000000  0.65200500  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.99735200  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.99735200  1.0
  O  O12  1  0.00000000  0.50000000  0.15575800  1.0
  O  O13  1  0.50000000  0.00000000  0.15575800  1.0
  O  O14  1  0.00000000  0.50000000  0.83707200  1.0
  O  O15  1  0.50000000  0.00000000  0.83707200  1.0
  O  O16  1  0.75112000  0.75112000  0.37074300  1.0
  O  O17  1  0.24888000  0.24888000  0.37074300  1.0
  O  O18  1  0.24884400  0.75115600  0.37456100  1.0
  O  O19  1  0.75115600  0.24884400  0.37456100  1.0
  O  O20  1  0.74117500  0.74117500  0.64087500  1.0
  O  O21  1  0.25882500  0.25882500  0.64087500  1.0
  O  O22  1  0.25800600  0.74199400  0.64161500  1.0
  O  O23  1  0.74199400  0.25800600  0.64161500  1.0
  O  O24  1  0.71833500  0.71833500  0.98149400  1.0
  O  O25  1  0.28166500  0.28166500  0.98149400  1.0