# generated using pymatgen
data_CeScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62210231
_cell_length_b   5.81908325
_cell_length_c   8.04918263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeScO3
_chemical_formula_sum   'Ce4 Sc4 O12'
_cell_volume   263.33288447
_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
  Ce  Ce0  1  0.98704771  0.05465754  0.25000000  1.0
  Ce  Ce1  1  0.48704771  0.44534246  0.75000000  1.0
  Ce  Ce2  1  0.51295229  0.55465754  0.25000000  1.0
  Ce  Ce3  1  0.01295229  0.94534246  0.75000000  1.0
  Sc  Sc4  1  0.50000000  -0.00000000  0.00000000  1.0
  Sc  Sc5  1  0.50000000  -0.00000000  0.50000000  1.0
  Sc  Sc6  1  -0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc7  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.60712983  0.03924686  0.75000000  1.0
  O  O9  1  0.19811541  0.19951977  0.94419714  1.0
  O  O10  1  0.19811541  0.19951977  0.55580286  1.0
  O  O11  1  0.69811541  0.30048023  0.05580286  1.0
  O  O12  1  0.69811541  0.30048023  0.44419714  1.0
  O  O13  1  0.10712983  0.46075314  0.25000000  1.0
  O  O14  1  0.89287017  0.53924686  0.75000000  1.0
  O  O15  1  0.30188459  0.69951977  0.55580286  1.0
  O  O16  1  0.30188459  0.69951977  0.94419714  1.0
  O  O17  1  0.80188459  0.80048023  0.44419714  1.0
  O  O18  1  0.80188459  0.80048023  0.05580286  1.0
  O  O19  1  0.39287017  0.96075314  0.25000000  1.0