data_[Ti14Zn4In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7112]
_cell_length_b [30.2910]
_cell_length_c [3.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti7Zn2In3]
_chemical_formula_sum '[Ti14 Zn4 In6]'
_cell_volume [439.2479]
_cell_formula_units_Z [2]
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  4  0.0000  0.0737  0.5000  1
  Ti  Ti1  4  0.0000  0.2363  0.0000  1
  Ti  Ti2  4  0.0000  0.4142  0.0000  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  4  0.0000  0.1468  0.0000  1
  In  In5  4  0.0000  0.3207  0.5000  1
  In  In6  2  0.0000  0.5000  0.5000  1
]