# generated using pymatgen
data_Sr3Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90867599
_cell_length_b   3.90867610
_cell_length_c   10.55260473
_cell_angle_alpha   100.67402677
_cell_angle_beta   100.67402529
_cell_angle_gamma   89.99444451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ti2O7
_chemical_formula_sum   'Sr3 Ti2 O7'
_cell_volume   155.59136360
_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
  Sr  Sr0  1  0.31560957  0.31560956  0.63127003  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.00000000  1.0
  Sr  Sr2  1  0.68439043  0.68439044  0.36872997  1.0
  Ti  Ti3  1  0.09754414  0.09754416  0.19506566  1.0
  Ti  Ti4  1  0.90245586  0.90245584  0.80493434  1.0
  O  O5  1  0.90380960  0.40381427  0.80766066  1.0
  O  O6  1  0.80633119  0.80633120  0.61265616  1.0
  O  O7  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O8  1  0.59618570  0.09619039  0.19233934  1.0
  O  O9  1  0.09619040  0.59618573  0.19233934  1.0
  O  O10  1  0.40381430  0.90380961  0.80766066  1.0
  O  O11  1  0.19366881  0.19366880  0.38734384  1.0