# generated using pymatgen
data_Nd2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76078800
_cell_length_b   3.76078800
_cell_length_c   7.01343203
_cell_angle_alpha   105.55202456
_cell_angle_beta   105.55202456
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2CuO4
_chemical_formula_sum   'Nd2 Cu1 O4'
_cell_volume   91.78752602
_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
  Nd  Nd0  1  0.36208600  0.36208600  0.72417200  1.0
  Nd  Nd1  1  0.63791400  0.63791400  0.27582800  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.18478900  0.18478900  0.36957800  1.0
  O  O4  1  0.81521100  0.81521100  0.63042200  1.0
  O  O5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.50000000  0.00000000  0.00000000  1.0