data_[Ba12Ag4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [14.3485]
_cell_length_b [10.8501]
_cell_length_c [5.1674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3AgO]
_chemical_formula_sum '[Ba12 Ag4 O4]'
_cell_volume [804.4206]
_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
[
  Ba  Ba0  8  0.1186  0.1968  0.7214  1
  Ba  Ba1  4  0.1051  0.5000  0.2921  1
  Ag  Ag2  4  0.2206  0.0000  0.2433  1
  O  O3  4  0.0000  0.3352  0.5000  1
]