data_[Ti6Ag6Sn9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7102]
_cell_length_b [4.7102]
_cell_length_c [23.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti2Ag2Sn3]
_chemical_formula_sum '[Ti6 Ag6 Sn9]'
_cell_volume [458.8569]
_cell_formula_units_Z [3]
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  0.0000  0.2523  1
  Ti  Ti1  3  0.0000  0.0000  0.7489  1
  Ag  Ag2  3  0.0000  0.0000  0.5026  1
  Ag  Ag3  3  0.0000  0.0000  0.9910  1
  Sn  Sn4  3  0.0000  0.0000  0.1348  1
  Sn  Sn5  3  0.0000  0.0000  0.3775  1
  Sn  Sn6  3  0.0000  0.0000  0.6180  1
]