# generated using pymatgen
data_Sr2RuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90106627
_cell_length_b   3.90106130
_cell_length_c   6.91448816
_cell_angle_alpha   106.38517513
_cell_angle_beta   106.38520553
_cell_angle_gamma   89.99998360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RuO4
_chemical_formula_sum   'Sr2 Ru1 O4'
_cell_volume   96.49049195
_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  0.35436093  0.35436093  0.70872185  1.0
  Sr  Sr1  1  0.64563907  0.64563907  0.29127815  1.0
  Ru  Ru2  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O3  1  0.83836539  0.83836539  0.67672978  1.0
  O  O4  1  0.16163461  0.16163461  0.32327022  1.0
  O  O5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.50000000  -0.00000000  0.00000000  1.0