# generated using pymatgen
data_La2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.94036899
_cell_length_b   19.94036899
_cell_length_c   5.43927500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.48996247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuO4
_chemical_formula_sum   'La12 Cu6 O24'
_cell_volume   578.33633082
_cell_formula_units_Z   6
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  0.20348500  0.79651500  0.48802600  1.0
  La  La1  1  0.12960000  0.87040000  0.99032600  1.0
  La  La2  1  0.87040000  0.12960000  0.49032600  1.0
  La  La3  1  0.79651500  0.20348500  0.98802600  1.0
  La  La4  1  0.70362900  0.29637100  0.01015800  1.0
  La  La5  1  0.62971600  0.37028400  0.50940200  1.0
  La  La6  1  0.53701600  0.46298400  0.50352300  1.0
  La  La7  1  0.46298400  0.53701600  0.00352300  1.0
  La  La8  1  0.37028400  0.62971600  0.00940200  1.0
  La  La9  1  0.29637100  0.70362900  0.51015800  1.0
  La  La10  1  0.03669400  0.96330600  0.99375900  1.0
  La  La11  1  0.96330600  0.03669400  0.49375900  1.0
  Cu  Cu12  1  0.74992100  0.25007900  0.49943500  1.0
  Cu  Cu13  1  0.58319100  0.41680900  0.99936000  1.0
  Cu  Cu14  1  0.41680900  0.58319100  0.49936000  1.0
  Cu  Cu15  1  0.25007900  0.74992100  0.99943500  1.0
  Cu  Cu16  1  0.08308900  0.91691100  0.49609500  1.0
  Cu  Cu17  1  0.91691100  0.08308900  0.99609500  1.0
  O  O18  1  0.83186300  0.66487200  0.24657500  1.0
  O  O19  1  0.18801500  0.81198500  0.03557400  1.0
  O  O20  1  0.14500200  0.85499800  0.52776800  1.0
  O  O21  1  0.50188500  0.99759700  0.25035900  1.0
  O  O22  1  0.49811500  0.00240300  0.75035900  1.0
  O  O23  1  0.33512800  0.16813700  0.24657500  1.0
  O  O24  1  0.85499800  0.14500200  0.02776800  1.0
  O  O25  1  0.81198500  0.18801500  0.53557400  1.0
  O  O26  1  0.68794400  0.31205600  0.46315300  1.0
  O  O27  1  0.64545600  0.35454400  0.96329300  1.0
  O  O28  1  0.16363500  0.33044100  0.24845800  1.0
  O  O29  1  0.16813700  0.33512800  0.74657500  1.0
  O  O30  1  0.00240300  0.49811500  0.25035900  1.0
  O  O31  1  0.99759700  0.50188500  0.75035900  1.0
  O  O32  1  0.52070500  0.47929500  0.93803900  1.0
  O  O33  1  0.47929500  0.52070500  0.43803900  1.0
  O  O34  1  0.35454400  0.64545600  0.46329300  1.0
  O  O35  1  0.31205600  0.68794400  0.96315300  1.0
  O  O36  1  0.83636500  0.66955900  0.74845800  1.0
  O  O37  1  0.66955900  0.83636500  0.24845800  1.0
  O  O38  1  0.66487200  0.83186300  0.74657500  1.0
  O  O39  1  0.02156700  0.97843300  0.48021300  1.0
  O  O40  1  0.97843300  0.02156700  0.98021300  1.0
  O  O41  1  0.33044100  0.16363500  0.74845800  1.0