# generated using pymatgen
data_La2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60789200
_cell_length_b   5.60789200
_cell_length_c   12.42322900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiO4
_chemical_formula_sum   'La8 Ni4 O16'
_cell_volume   390.69132938
_cell_formula_units_Z   4
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  0.01280300  0.01280300  0.63701700  1.0
  La  La1  1  0.48719700  0.48719700  0.63701700  1.0
  La  La2  1  0.51280300  0.51280300  0.36298300  1.0
  La  La3  1  0.01280300  0.48719700  0.13701700  1.0
  La  La4  1  0.48719700  0.01280300  0.13701700  1.0
  La  La5  1  0.98719700  0.51280300  0.86298300  1.0
  La  La6  1  0.51280300  0.98719700  0.86298300  1.0
  La  La7  1  0.98719700  0.98719700  0.36298300  1.0
  Ni  Ni8  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni10  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni11  1  0.00000000  0.50000000  0.50000000  1.0
  O  O12  1  0.75000000  0.25000000  0.50000000  1.0
  O  O13  1  0.25000000  0.75000000  0.00000000  1.0
  O  O14  1  0.25000000  0.75000000  0.50000000  1.0
  O  O15  1  0.75000000  0.25000000  0.00000000  1.0
  O  O16  1  0.25000000  0.25000000  0.97520200  1.0
  O  O17  1  0.25000000  0.25000000  0.47520200  1.0
  O  O18  1  0.75000000  0.75000000  0.52479800  1.0
  O  O19  1  0.75000000  0.75000000  0.02479800  1.0
  O  O20  1  0.95352900  0.95352900  0.82066900  1.0
  O  O21  1  0.54647100  0.54647100  0.82066900  1.0
  O  O22  1  0.45352900  0.45352900  0.17933100  1.0
  O  O23  1  0.95352900  0.54647100  0.32066900  1.0
  O  O24  1  0.54647100  0.95352900  0.32066900  1.0
  O  O25  1  0.04647100  0.45352900  0.67933100  1.0
  O  O26  1  0.45352900  0.04647100  0.67933100  1.0
  O  O27  1  0.04647100  0.04647100  0.17933100  1.0