data_[Ti3Re5Ag1]
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
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2847]
_cell_length_b [6.2847]
_cell_length_c [4.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ti3Re5Ag]
_chemical_formula_sum '[Ti3 Re5 Ag1]'
_cell_volume [152.7541]
_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  3  0.0000  0.5408  0.0000  1
  Re  Re1  3  0.0000  0.2494  0.5000  1
  Re  Re2  2  0.3333  0.6667  0.5000  1
  Ag  Ag3  1  0.0000  0.0000  0.0000  1
]