# generated using pymatgen
data_La2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51165200
_cell_length_b   5.67646700
_cell_length_c   6.80232992
_cell_angle_alpha   90.00029533
_cell_angle_beta   66.09971854
_cell_angle_gamma   90.00108591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiO4
_chemical_formula_sum   'La4 Ni2 O8'
_cell_volume   194.57341474
_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
  La  La0  1  0.63683600  0.98503400  0.72597400  1.0
  La  La1  1  0.36309800  0.01498200  0.27370900  1.0
  La  La2  1  0.13684400  0.51509000  0.72608900  1.0
  La  La3  1  0.86306600  0.48512500  0.27383100  1.0
  Ni  Ni4  1  0.49934300  0.49976700  0.00142500  1.0
  Ni  Ni5  1  0.00011400  0.99981300  0.00019000  1.0
  O  O6  1  0.23433000  0.74981300  0.03188700  1.0
  O  O7  1  0.26591200  0.25012100  0.96790200  1.0
  O  O8  1  0.76626500  0.24978700  0.96786900  1.0
  O  O9  1  0.73396200  0.75007100  0.03193000  1.0
  O  O10  1  0.82056900  0.06320100  0.35857600  1.0
  O  O11  1  0.17961600  0.93687500  0.64105000  1.0
  O  O12  1  0.32051400  0.43698400  0.35854900  1.0
  O  O13  1  0.67953200  0.56333600  0.64101700  1.0