data_[Ti6Co9Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2546]
_cell_length_b [4.2546]
_cell_length_c [20.6205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti2Co3Sn2]
_chemical_formula_sum '[Ti6 Co9 Sn6]'
_cell_volume [323.2561]
_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  0.2470  1.0
  Ti  Ti1  3  0.0000  0.0000  0.7538  1.0
  Co  Co2  3  0.0000  0.0000  0.1225  1.0
  Co  Co3  3  0.0000  0.0000  0.3752  1.0
  Co  Co4  3  0.0000  0.0000  0.6283  1.0
  Sn  Sn5  3  0.0000  0.0000  0.5033  1.0
  Sn  Sn6  3  0.0000  0.0000  0.9950  1.0
]