data_[Sr3Sc12Ni3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4475]
_cell_length_b [6.4475]
_cell_length_c [15.5544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrSc4NiO8]
_chemical_formula_sum '[Sr3 Sc12 Ni3 O24]'
_cell_volume [559.9710]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3777  1.0
  Sc  Sc1  9  0.1709  0.3419  0.8322  1.0
  Sc  Sc2  3  0.0000  0.0000  0.6237  1.0
  Ni  Ni3  3  0.0000  0.0000  0.0027  1.0
  O  O4  9  0.0539  0.5269  0.7581  1.0
  O  O5  9  0.1727  0.3455  0.5791  1.0
  O  O6  3  0.0000  0.0000  0.2312  1.0
  O  O7  3  0.0000  0.0000  0.7565  1.0
]