data_[Ti24Zn8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.0874]
_cell_length_b [8.1815]
_cell_length_c [9.5127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Zn2Sn]
_chemical_formula_sum '[Ti24 Zn8 Sn4]'
_cell_volume [629.4271]
_cell_formula_units_Z [4]
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  8  0.0000  0.2801  0.3158  1
  Ti  Ti1  8  0.2073  0.0000  0.2515  1
  Ti  Ti2  8  0.2109  0.2952  0.0000  1
  Zn  Zn3  4  0.0000  0.5000  0.1255  1
  Zn  Zn4  4  0.1508  0.5000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
  Sn  Sn6  2  0.0000  0.0000  0.5000  1
]