# generated using pymatgen
data_Sr2ScFeAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12717100
_cell_length_b   4.12717100
_cell_length_c   16.33529600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScFeAsO3
_chemical_formula_sum   'Sr4 Sc2 Fe2 As2 O6'
_cell_volume   278.24792540
_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
  Sr  Sr0  1  0.25000000  0.25000000  0.80190300  1.0
  Sr  Sr1  1  0.75000000  0.75000000  0.19809700  1.0
  Sr  Sr2  1  0.25000000  0.25000000  0.58345400  1.0
  Sr  Sr3  1  0.75000000  0.75000000  0.41654600  1.0
  Sc  Sc4  1  0.75000000  0.75000000  0.68756900  1.0
  Sc  Sc5  1  0.25000000  0.25000000  0.31243100  1.0
  Fe  Fe6  1  0.25000000  0.75000000  0.00000000  1.0
  Fe  Fe7  1  0.75000000  0.25000000  0.00000000  1.0
  As  As8  1  0.75000000  0.75000000  0.90143900  1.0
  As  As9  1  0.25000000  0.25000000  0.09856100  1.0
  O  O10  1  0.25000000  0.75000000  0.70682900  1.0
  O  O11  1  0.75000000  0.25000000  0.70682900  1.0
  O  O12  1  0.75000000  0.25000000  0.29317100  1.0
  O  O13  1  0.25000000  0.75000000  0.29317100  1.0
  O  O14  1  0.75000000  0.75000000  0.56501300  1.0
  O  O15  1  0.25000000  0.25000000  0.43498700  1.0