data_[Ti6Cu6Si9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9378]
_cell_length_b [3.9378]
_cell_length_c [23.2299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti2Cu2Si3]
_chemical_formula_sum '[Ti6 Cu6 Si9]'
_cell_volume [311.9577]
_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  0.2458  1
  Ti  Ti1  3  0.0000  0.0000  0.7543  1
  Si  Si2  3  0.0000  0.0000  0.1410  1
  Si  Si3  3  0.0000  0.0000  0.3607  1
  Cu  Cu4  3  0.0000  0.0000  0.5024  1
  Si  Si5  3  0.0000  0.0000  0.6269  1
  Cu  Cu6  3  0.0000  0.0000  0.9940  1
]