data_[Ti9Ag6Sn6]
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 [4.6393]
_cell_length_b [4.6393]
_cell_length_c [21.6609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti3(AgSn)2]
_chemical_formula_sum '[Ti9 Ag6 Sn6]'
_cell_volume [403.7538]
_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  0.1001  1
  Ti  Ti1  3  0.0000  0.0000  0.3730  1
  Ti  Ti2  3  0.0000  0.0000  0.6503  1
  Ag  Ag3  3  0.0000  0.0000  0.2389  1
  Ag  Ag4  3  0.0000  0.0000  0.7821  1
  Sn  Sn5  3  0.0000  0.0000  0.5079  1
  Sn  Sn6  3  0.0000  0.0000  0.9728  1
]