# generated using pymatgen
data_La2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81380400
_cell_length_b   3.81380400
_cell_length_c   7.14122249
_cell_angle_alpha   105.48745549
_cell_angle_beta   105.48745549
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuO4
_chemical_formula_sum   'La2 Cu1 O4'
_cell_volume   96.17876732
_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
  La  La0  1  0.36089300  0.36089300  0.72178600  1.0
  La  La1  1  0.63910700  0.63910700  0.27821400  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.00000000  0.50000000  0.00000000  1.0
  O  O4  1  0.50000000  0.00000000  0.00000000  1.0
  O  O5  1  0.18622600  0.18622600  0.37245200  1.0
  O  O6  1  0.81377400  0.81377400  0.62754800  1.0