# generated using pymatgen
data_La2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07819620
_cell_length_b   7.07819620
_cell_length_c   5.54339200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.53493253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuO4
_chemical_formula_sum   'La4 Cu2 O8'
_cell_volume   194.54181966
_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
  La  La0  1  0.36101100  0.63898900  0.98534600  1.0
  La  La1  1  0.63898900  0.36101100  0.01465400  1.0
  La  La2  1  0.86101100  0.13898900  0.51465400  1.0
  La  La3  1  0.13898900  0.86101100  0.48534600  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.26123400  0.23876600  0.75000000  1.0
  O  O7  1  0.81322000  0.18678000  0.94021100  1.0
  O  O8  1  0.68678000  0.31322000  0.44021100  1.0
  O  O9  1  0.23876600  0.26123400  0.25000000  1.0
  O  O10  1  0.76123400  0.73876600  0.75000000  1.0
  O  O11  1  0.31322000  0.68678000  0.55978900  1.0
  O  O12  1  0.18678000  0.81322000  0.05978900  1.0
  O  O13  1  0.73876600  0.76123400  0.25000000  1.0