data_[Ag1Ru1O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1244]
_cell_length_b [3.6743]
_cell_length_c [5.4427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [AgRuO3]
_chemical_formula_sum '[Ag1 Ru1 O3]'
_cell_volume [62.4827]
_cell_formula_units_Z [1]
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
[
  Ag  Ag0  1  0.0000  0.5000  0.0000  1.0
  Ru  Ru1  1  0.5000  0.0000  0.5000  1.0
  O  O2  2  0.0000  0.0000  0.2551  1.0
  O  O3  1  0.5000  0.5000  0.5000  1.0
]