# generated using pymatgen
data_LaCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41069290
_cell_length_b   5.41069314
_cell_length_c   5.41069256
_cell_angle_alpha   60.98872651
_cell_angle_beta   60.98872654
_cell_angle_gamma   60.98872210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuO3
_chemical_formula_sum   'La2 Cu2 O6'
_cell_volume   114.50128811
_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  0.75000000  0.75000000  0.75000000  1.0
  La  La1  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O4  1  0.19972873  0.75000000  0.30027127  1.0
  O  O5  1  0.75000000  0.30027127  0.19972873  1.0
  O  O6  1  0.30027127  0.19972873  0.75000000  1.0
  O  O7  1  0.80027127  0.25000000  0.69972873  1.0
  O  O8  1  0.69972873  0.80027127  0.25000000  1.0
  O  O9  1  0.25000000  0.69972873  0.80027127  1.0