# generated using pymatgen
data_SrSc2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19476322
_cell_length_b   9.71199018
_cell_length_c   11.31994639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2O4
_chemical_formula_sum   'Sr4 Sc8 O16'
_cell_volume   351.22973872
_cell_formula_units_Z   4
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  0.75000000  0.24520880  0.65340106  1.0
  Sr  Sr1  1  0.25000000  0.25479120  0.15340106  1.0
  Sr  Sr2  1  0.75000000  0.74520880  0.84659894  1.0
  Sr  Sr3  1  0.25000000  0.75479120  0.34659894  1.0
  Sc  Sc4  1  0.75000000  0.07034801  0.88985978  1.0
  Sc  Sc5  1  0.75000000  0.07837583  0.39369994  1.0
  Sc  Sc6  1  0.25000000  0.42162417  0.89369994  1.0
  Sc  Sc7  1  0.25000000  0.42965199  0.38985978  1.0
  Sc  Sc8  1  0.75000000  0.57034801  0.61014022  1.0
  Sc  Sc9  1  0.75000000  0.57837583  0.10630006  1.0
  Sc  Sc10  1  0.25000000  0.92162417  0.60630006  1.0
  Sc  Sc11  1  0.25000000  0.92965199  0.11014022  1.0
  O  O12  1  0.25000000  0.02102228  0.28323408  1.0
  O  O13  1  0.75000000  0.07420871  0.07393513  1.0
  O  O14  1  0.25000000  0.11695288  0.52020715  1.0
  O  O15  1  0.25000000  0.20809305  0.83987250  1.0
  O  O16  1  0.75000000  0.29190695  0.33987250  1.0
  O  O17  1  0.75000000  0.38304712  0.02020715  1.0
  O  O18  1  0.25000000  0.42579129  0.57393513  1.0
  O  O19  1  0.75000000  0.47897772  0.78323408  1.0
  O  O20  1  0.25000000  0.52102228  0.21676592  1.0
  O  O21  1  0.75000000  0.57420871  0.42606487  1.0
  O  O22  1  0.25000000  0.61695288  0.97979285  1.0
  O  O23  1  0.25000000  0.70809305  0.66012750  1.0
  O  O24  1  0.75000000  0.79190695  0.16012750  1.0
  O  O25  1  0.75000000  0.88304712  0.47979285  1.0
  O  O26  1  0.25000000  0.92579129  0.92606487  1.0
  O  O27  1  0.75000000  0.97897772  0.71676592  1.0