# generated using pymatgen
data_La3Ni2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53621661
_cell_length_b   10.53621661
_cell_length_c   5.45708800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.14156904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ni2O7
_chemical_formula_sum   'La6 Ni4 O14'
_cell_volume   310.72683905
_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  0.58342900  0.94401300  0.25000000  1.0
  La  La1  1  0.41657100  0.05598700  0.75000000  1.0
  La  La2  1  0.94401300  0.58342900  0.25000000  1.0
  La  La3  1  0.05598700  0.41657100  0.75000000  1.0
  La  La4  1  0.75062600  0.75062600  0.25000000  1.0
  La  La5  1  0.24937400  0.24937400  0.75000000  1.0
  Ni  Ni6  1  0.35040800  0.15550800  0.25000000  1.0
  Ni  Ni7  1  0.64959200  0.84449200  0.75000000  1.0
  Ni  Ni8  1  0.15550800  0.35040800  0.25000000  1.0
  Ni  Ni9  1  0.84449200  0.64959200  0.75000000  1.0
  O  O10  1  0.08538200  0.91461800  0.00000000  1.0
  O  O11  1  0.91461800  0.08538200  0.50000000  1.0
  O  O12  1  0.91461800  0.08538200  0.00000000  1.0
  O  O13  1  0.08538200  0.91461800  0.50000000  1.0
  O  O14  1  0.61173000  0.38827000  0.50000000  1.0
  O  O15  1  0.38827000  0.61173000  0.00000000  1.0
  O  O16  1  0.38827000  0.61173000  0.50000000  1.0
  O  O17  1  0.61173000  0.38827000  0.00000000  1.0
  O  O18  1  0.39702300  0.98734600  0.25000000  1.0
  O  O19  1  0.60297700  0.01265400  0.75000000  1.0
  O  O20  1  0.67361500  0.67361500  0.75000000  1.0
  O  O21  1  0.32638500  0.32638500  0.25000000  1.0
  O  O22  1  0.01265400  0.60297700  0.75000000  1.0
  O  O23  1  0.98734600  0.39702300  0.25000000  1.0