data_[Sc8Sn4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8832]
_cell_length_b [3.4186]
_cell_length_c [9.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc2SnO]
_chemical_formula_sum '[Sc8 Sn4 O4]'
_cell_volume [315.4034]
_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
[
  Sc  Sc0  4  0.0741  0.7500  0.1941  1.0
  Sc  Sc1  4  0.1230  0.7500  0.5661  1.0
  Sn  Sn2  4  0.1881  0.7500  0.8814  1.0
  O  O3  4  0.0097  0.2500  0.6101  1.0
]