# generated using pymatgen
data_Nd4CuNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82960067
_cell_length_b   3.82960067
_cell_length_c   12.63634100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.65403284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4CuNiO8
_chemical_formula_sum   'Nd4 Cu1 Ni1 O8'
_cell_volume   185.31049818
_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  0.50088300  0.49911700  0.86075100  1.0
  Nd  Nd1  1  0.00968700  0.99031300  0.36610000  1.0
  Nd  Nd2  1  0.00968700  0.99031300  0.63390000  1.0
  Nd  Nd3  1  0.50088300  0.49911700  0.13924900  1.0
  Cu  Cu4  1  0.00962200  0.99037800  0.00000000  1.0
  Ni  Ni5  1  0.51826900  0.48173100  0.50000000  1.0
  O  O6  1  0.01853500  0.49352100  0.50000000  1.0
  O  O7  1  0.51113200  0.99689800  0.00000000  1.0
  O  O8  1  0.50647900  0.98146500  0.50000000  1.0
  O  O9  1  0.00310200  0.48886800  0.00000000  1.0
  O  O10  1  0.54678900  0.45321100  0.67717800  1.0
  O  O11  1  0.05957100  0.94042900  0.18715300  1.0
  O  O12  1  0.05957100  0.94042900  0.81284700  1.0
  O  O13  1  0.54678900  0.45321100  0.32282200  1.0