# generated using pymatgen
data_Sr2TiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89623570
_cell_length_b   3.89623532
_cell_length_c   6.87349342
_cell_angle_alpha   106.46470612
_cell_angle_beta   106.46470503
_cell_angle_gamma   90.00000292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiO4
_chemical_formula_sum   'Sr2 Ti1 O4'
_cell_volume   95.59542788
_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  0.64535137  0.64535137  0.29070374  1.0
  Sr  Sr1  1  0.35464863  0.35464863  0.70929626  1.0
  Ti  Ti2  1  -0.00000000  0.00000000  -0.00000000  1.0
  O  O3  1  0.84198348  0.84198348  0.68396796  1.0
  O  O4  1  0.15801652  0.15801652  0.31603204  1.0
  O  O5  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O6  1  0.50000000  0.00000000  -0.00000000  1.0