# generated using pymatgen
data_Sr2ScIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64379638
_cell_length_b   5.64379638
_cell_length_c   5.70564032
_cell_angle_alpha   59.81645438
_cell_angle_beta   59.81645438
_cell_angle_gamma   59.97804255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScIrO6
_chemical_formula_sum   'Sr2 Sc1 Ir1 O6'
_cell_volume   128.12972739
_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
  Sr  Sr0  1  0.74898756  0.74898756  0.25449741  1.0
  Sr  Sr1  1  0.25101244  0.25101244  0.74550259  1.0
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir3  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.75711936  0.75711936  0.79970225  1.0
  O  O5  1  0.24288064  0.24288064  0.20029775  1.0
  O  O6  1  0.78581939  0.27414670  0.71295951  1.0
  O  O7  1  0.72585330  0.21418061  0.28704049  1.0
  O  O8  1  0.21418061  0.72585330  0.28704049  1.0
  O  O9  1  0.27414670  0.78581939  0.71295951  1.0