# generated using pymatgen
data_Nd2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91514864
_cell_length_b   6.91514864
_cell_length_c   5.59673400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.38695621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2CuO4
_chemical_formula_sum   'Nd4 Cu2 O8'
_cell_volume   187.96185913
_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
  Nd  Nd0  1  0.36116600  0.63883400  0.01837100  1.0
  Nd  Nd1  1  0.63883400  0.36116600  0.98162900  1.0
  Nd  Nd2  1  0.13883400  0.86116600  0.51837100  1.0
  Nd  Nd3  1  0.86116600  0.13883400  0.48162900  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  0.26703400  0.23296600  0.25000000  1.0
  O  O7  1  0.23296600  0.26703400  0.75000000  1.0
  O  O8  1  0.73296600  0.76703400  0.75000000  1.0
  O  O9  1  0.76703400  0.73296600  0.25000000  1.0
  O  O10  1  0.18681900  0.81318100  0.92571700  1.0
  O  O11  1  0.81318100  0.18681900  0.07428300  1.0
  O  O12  1  0.68681900  0.31318100  0.57428300  1.0
  O  O13  1  0.31318100  0.68681900  0.42571700  1.0