# generated using pymatgen
data_La2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11164397
_cell_length_b   7.11164397
_cell_length_c   5.40022300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.48295824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuO4
_chemical_formula_sum   'La4 Cu2 O8'
_cell_volume   191.48947857
_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  0.63891300  0.36108700  0.99512500  1.0
  La  La1  1  0.86108700  0.13891300  0.49512500  1.0
  La  La2  1  0.13891300  0.86108700  0.50487500  1.0
  La  La3  1  0.36108700  0.63891300  0.00487500  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  0.81435700  0.18564300  0.01429100  1.0
  O  O7  1  0.25074800  0.24925200  0.25000000  1.0
  O  O8  1  0.74925200  0.75074800  0.75000000  1.0
  O  O9  1  0.68564300  0.31435700  0.51429100  1.0
  O  O10  1  0.18564300  0.81435700  0.98570900  1.0
  O  O11  1  0.24925200  0.25074800  0.75000000  1.0
  O  O12  1  0.75074800  0.74925200  0.25000000  1.0
  O  O13  1  0.31435700  0.68564300  0.48570900  1.0