data_[Ti2Mn2Al1Zn1Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2690]
_cell_length_b [4.2690]
_cell_length_c [6.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2Mn2AlZnIr2]
_chemical_formula_sum '[Ti2 Mn2 Al1 Zn1 Ir2]'
_cell_volume [109.8249]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ti  Ti1  1  0.5000  0.5000  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.7479  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  1  0.5000  0.5000  0.5000  1
  Ir  Ir5  2  0.0000  0.5000  0.2423  1
]