# generated using pymatgen
data_Sc3Ti2Si3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70627210
_cell_length_b   7.70627106
_cell_length_c   5.39215815
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Ti2Si3O
_chemical_formula_sum   'Sc6 Ti4 Si6 O2'
_cell_volume   277.32043454
_cell_formula_units_Z   2
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  0.23357154  1.00000000  0.25000000  1.0
  Sc  Sc1  1  0.76642846  0.00000000  0.75000000  1.0
  Sc  Sc2  1  0.00000000  0.23357154  0.25000000  1.0
  Sc  Sc3  1  1.00000000  0.76642846  0.75000000  1.0
  Sc  Sc4  1  0.76642846  0.76642846  0.25000000  1.0
  Sc  Sc5  1  0.23357154  0.23357154  0.75000000  1.0
  Ti  Ti6  1  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti7  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti8  1  0.66666700  0.33333300  0.50000000  1.0
  Ti  Ti9  1  0.33333300  0.66666700  0.50000000  1.0
  Si  Si10  1  0.58932257  1.00000000  0.25000000  1.0
  Si  Si11  1  0.41067743  0.00000000  0.75000000  1.0
  Si  Si12  1  0.00000000  0.58932257  0.25000000  1.0
  Si  Si13  1  1.00000000  0.41067743  0.75000000  1.0
  Si  Si14  1  0.41067743  0.41067743  0.25000000  1.0
  Si  Si15  1  0.58932257  0.58932257  0.75000000  1.0
  O  O16  1  0.00000000  0.00000000  0.00000000  1.0
  O  O17  1  0.00000000  0.00000000  0.50000000  1.0