data_[Sc12Ag4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1089]
_cell_length_b [6.2298]
_cell_length_c [5.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc3AgO]
_chemical_formula_sum '[Sc12 Ag4 O4]'
_cell_volume [356.7032]
_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  0.1276  0.2498  0.7994  1
  Sc  Sc1  4  0.4010  0.2530  0.2199  1
  Sc  Sc2  2  0.1694  0.0000  0.3410  1
  Sc  Sc3  2  0.3666  0.5000  0.6957  1
  Ag  Ag4  2  0.1255  0.5000  0.2878  1
  Ag  Ag5  2  0.3978  0.0000  0.7604  1
  O  O6  2  0.0119  0.0000  0.5120  1
  O  O7  2  0.2744  0.5000  0.9550  1
]