data_[Ti1Re1Ag1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.1744]
_cell_length_b [5.1744]
_cell_length_c [5.0869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TiReAgO6]
_chemical_formula_sum '[Ti1 Re1 Ag1 O6]'
_cell_volume [117.9519]
_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
[
  Ti  Ti0  1  0.6667  0.3333  0.4463  1.0
  Re  Re1  1  0.3333  0.6667  0.5375  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0149  1.0
  O  O3  3  0.0084  0.6318  0.7114  1.0
  O  O4  3  0.0151  0.3874  0.2890  1.0
]