# generated using pymatgen
data_Sc2Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48139374
_cell_length_b   5.48139374
_cell_length_c   5.18344747
_cell_angle_alpha   84.05759400
_cell_angle_beta   95.94240600
_cell_angle_gamma   71.05296272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ti2O7
_chemical_formula_sum   'Sc2 Ti2 O7'
_cell_volume   144.94527475
_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
  Sc  Sc0  1  0.68733184  0.68733184  0.00000000  1.0
  Sc  Sc1  1  0.31266816  0.31266816  0.00000000  1.0
  Ti  Ti2  1  0.25500560  0.74499440  0.39495632  1.0
  Ti  Ti3  1  0.74499440  0.25500560  0.60504368  1.0
  O  O4  1  0.05613496  0.59897729  0.19957133  1.0
  O  O5  1  0.40102271  0.94386504  0.19957133  1.0
  O  O6  1  0.43231905  0.56768095  0.73132859  1.0
  O  O7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.56768095  0.43231905  0.26867141  1.0
  O  O9  1  0.59897729  0.05613496  0.80042867  1.0
  O  O10  1  0.94386504  0.40102271  0.80042867  1.0