# generated using pymatgen
data_Ba2LiLaCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00581603
_cell_length_b   4.00587137
_cell_length_c   12.88061264
_cell_angle_alpha   84.75073888
_cell_angle_beta   95.24865708
_cell_angle_gamma   91.54160648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiLaCu3O7
_chemical_formula_sum   'Ba2 Li1 La1 Cu3 O7'
_cell_volume   204.92674645
_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  0.41550300  0.58448600  0.87241800  1
  Ba  Ba1  1  0.49557700  0.50443200  0.17036100  1
  Li  Li2  1  0.16821700  0.83177000  0.58723100  1
  La  La3  1  0.58357200  0.41643300  0.46631900  1
  Cu  Cu4  1  0.85576000  0.14420400  0.68517300  1
  Cu  Cu5  1  0.03720100  0.96282800  0.33005000  1
  Cu  Cu6  1  0.95477900  0.04522000  0.01713600  1
  O  O7  1  0.64894100  0.88424400  0.57611800  1
  O  O8  1  0.11574400  0.35104100  0.57612400  1
  O  O9  1  0.53727200  0.96173900  0.33350600  1
  O  O10  1  0.03828100  0.46275500  0.33351100  1
  O  O11  1  0.95736200  0.54301900  0.02700000  1
  O  O12  1  0.45698100  0.04264300  0.02699900  1
  O  O13  1  0.88481000  0.11518600  0.82605700  1
