# generated using pymatgen
data_Nd2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74060683
_cell_length_b   6.74060683
_cell_length_c   6.74060683
_cell_angle_alpha   146.67243092
_cell_angle_beta   146.67243092
_cell_angle_gamma   47.84904776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2NiO4
_chemical_formula_sum   'Nd2 Ni1 O4'
_cell_volume   92.07962321
_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  0.63554800  0.63554800  0.00000000  1.0
  Nd  Nd1  1  0.36445200  0.36445200  0.00000000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.50000000  0.50000000  1.0
  O  O5  1  0.82128600  0.82128600  0.00000000  1.0
  O  O6  1  0.17871400  0.17871400  0.00000000  1.0