# generated using pymatgen
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94928200
_cell_length_b   3.94477800
_cell_length_c   12.81756500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiLaCu3O7
_chemical_formula_sum   'Ba2 Li1 La1 Cu3 O7'
_cell_volume   199.68536744
_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  0.50000000  0.50000000  0.87974000  1
  Ba  Ba1  1  0.50000000  0.50000000  0.17378000  1
  Li  Li2  1  0.50000000  0.50000000  0.66621100  1
  La  La3  1  0.50000000  0.50000000  0.46703600  1
  Cu  Cu4  1  0.00000000  0.00000000  0.64877600  1
  Cu  Cu5  1  0.00000000  0.00000000  0.34326200  1
  Cu  Cu6  1  0.00000000  0.00000000  0.02211600  1
  O  O7  1  0.50000000  0.00000000  0.60391400  1
  O  O8  1  0.00000000  0.50000000  0.60548400  1
  O  O9  1  0.50000000  0.00000000  0.34869500  1
  O  O10  1  0.00000000  0.50000000  0.34912300  1
  O  O11  1  0.00000000  0.50000000  0.03454500  1
  O  O12  1  0.50000000  0.00000000  0.03427500  1
  O  O13  1  0.00000000  0.00000000  0.81215300  1
