# generated using pymatgen
data_La2Ti3NiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.65277112
_cell_length_b   13.65277112
_cell_length_c   13.65277112
_cell_angle_alpha   163.76095231
_cell_angle_beta   163.76095231
_cell_angle_gamma   23.04368787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ti3NiO10
_chemical_formula_sum   'La2 Ti3 Ni1 O10'
_cell_volume   198.97022442
_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  0.58113200  0.58113200  0.00000000  1.0
  La  La1  1  0.41886800  0.41886800  0.00000000  1.0
  Ti  Ti2  1  0.84109600  0.84109600  0.00000000  1.0
  Ti  Ti3  1  0.15890400  0.15890400  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.25000000  0.75000000  0.50000000  1.0
  O  O6  1  0.92728900  0.92728900  0.00000000  1.0
  O  O7  1  0.07271100  0.07271100  0.00000000  1.0
  O  O8  1  0.77314000  0.77314000  0.00000000  1.0
  O  O9  1  0.22686000  0.22686000  0.00000000  1.0
  O  O10  1  0.35625800  0.85625800  0.50000000  1.0
  O  O11  1  0.85876800  0.35876800  0.50000000  1.0
  O  O12  1  0.64123200  0.14123200  0.50000000  1.0
  O  O13  1  0.14374200  0.64374200  0.50000000  1.0
  O  O14  1  0.49901100  0.99901100  0.50000000  1.0
  O  O15  1  0.00098900  0.50098900  0.50000000  1.0