# generated using pymatgen
data_La4Ni3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.29691295
_cell_length_b   13.29691295
_cell_length_c   13.29691295
_cell_angle_alpha   162.69962485
_cell_angle_beta   162.69962485
_cell_angle_gamma   24.56121323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ni3O8
_chemical_formula_sum   'La4 Ni3 O8'
_cell_volume   207.85617565
_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
  La  La0  1  0.29887700  0.29887700  0.00000000  1.0
  La  La1  1  0.70112300  0.70112300  0.00000000  1.0
  La  La2  1  0.43381900  0.43381900  0.00000000  1.0
  La  La3  1  0.56618100  0.56618100  0.00000000  1.0
  Ni  Ni4  1  0.12496500  0.12496500  0.00000000  1.0
  Ni  Ni5  1  0.87503500  0.87503500  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1.0
  O  O7  1  0.87465100  0.37465100  0.50000000  1.0
  O  O8  1  0.75000000  0.25000000  0.50000000  1.0
  O  O9  1  0.37465100  0.87465100  0.50000000  1.0
  O  O10  1  0.25000000  0.75000000  0.50000000  1.0
  O  O11  1  0.00000000  0.50000000  0.50000000  1.0
  O  O12  1  0.12534900  0.62534900  0.50000000  1.0
  O  O13  1  0.62534900  0.12534900  0.50000000  1.0
  O  O14  1  0.50000000  0.00000000  0.50000000  1.0