data_[Ti2Zn10Ir12]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2935]
_cell_length_b [6.1261]
_cell_length_c [12.8813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TiZn5Ir6]
_chemical_formula_sum '[Ti2 Zn10 Ir12]'
_cell_volume [338.8116]
_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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.0000  0.0000  0.3312  1
  Zn  Zn2  4  0.0000  0.5000  0.3365  1
  Zn  Zn3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  8  0.0000  0.2526  0.1667  1
  Ir  Ir5  4  0.0000  0.2456  0.5000  1
]