data_BaSr2ScInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83
_cell_length_b   10.83
_cell_length_c   10.83
_cell_angle_alpha   157.86
_cell_angle_beta   157.86
_cell_angle_gamma   31.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2ScInO6
_chemical_formula_sum   'Ba1 Sr2 Sc1 In1 O6'
_cell_volume   180.26
_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
  Ba  Ba0  1  0.0  0.0  0.65  1.0
  Sr  Sr1  1  0.0  0.0  0.39  1.0
  Sr  Sr2  1  0.0  0.0  0.22  1.0
  Sc  Sc3  1  0.0  0.0  0.77  1.0
  In  In4  1  0.0  0.0  0.04  1.0
  O  O5  1  0.0  0.08  0.75  1.0
  O  O6  1  0.08  0.0  0.75  1.0
  O  O7  1  0.08  0.0  0.66  1.0
  O  O8  1  0.0  0.08  0.66  1.0
  O  O9  1  0.0  0.0  0.77  1.0
  O  O10  1  0.0  0.0  0.13  1.0

data_BaSr2ScInO6
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   105.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2ScInO6
_chemical_formula_sum   'Ba2 Sr4 Sc2 In2 O12'
_cell_volume   360.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.35  1.0
  Sr  Sr1  2  0.0  0.0  0.61  1.0
  Sr  Sr2  2  0.0  0.0  0.78  1.0
  Sc  Sc3  2  0.0  0.0  0.23  1.0
  In  In4  2  0.0  0.0  0.96  1.0
  O  O5  4  0.04  0.04  0.33  1.0
  O  O6  4  0.04  0.04  0.42  1.0
  O  O7  2  0.0  0.0  0.23  1.0
  O  O8  2  0.0  0.0  0.87  1.0
