# generated using pymatgen
data_La3Nd(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97604614
_cell_length_b   3.97604526
_cell_length_c   12.51984596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nd(CuO4)2
_chemical_formula_sum   'La3 Nd1 Cu2 O8'
_cell_volume   197.92548619
_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  -0.00000000  -0.00000000  0.64808918  1.0
  La  La1  1  -0.00000000  0.00000000  0.34885373  1.0
  La  La2  1  0.50000000  0.50000000  0.85305272  1.0
  Nd  Nd3  1  0.50000000  0.50000000  0.14809614  1.0
  Cu  Cu4  1  -0.00000000  -0.00000000  0.00340759  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.49854087  1.0
  O  O6  1  0.50000000  0.00000000  0.24672972  1.0
  O  O7  1  -0.00000000  0.50000000  0.75079735  1.0
  O  O8  1  0.00000000  0.50000000  0.24672971  1.0
  O  O9  1  0.50000000  0.00000000  0.75079751  1.0
  O  O10  1  0.50000000  -0.00000000  0.00345429  1.0
  O  O11  1  -0.00000000  0.50000000  0.49899755  1.0
  O  O12  1  0.50000000  0.00000000  0.49899742  1.0
  O  O13  1  -0.00000000  0.50000000  0.00345423  1.0