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 [C2/m]
_cell_length_a [10.3495]
_cell_length_b [4.4388]
_cell_length_c [8.3930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3AgO]
_chemical_formula_sum '[Sc12 Ag4 O4]'
_cell_volume [350.9344]
_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  0.1124  0.5000  0.6915  1
  Sc  Sc1  4  0.1390  0.0000  0.4340  1
  Sc  Sc2  4  0.1395  0.5000  0.1695  1
  Ag  Ag3  4  0.1196  0.0000  0.9360  1
  O  O4  4  0.1192  0.5000  0.4253  1
]