data_[Ti2Mn1Al2Cr1Ir2]
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
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2728]
_cell_length_b [4.2728]
_cell_length_c [6.0985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2MnAl2CrIr2]
_chemical_formula_sum '[Ti2 Mn1 Al2 Cr1 Ir2]'
_cell_volume [111.3377]
_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  2  0.0000  0.5000  0.7385  1
  Mn  Mn1  1  0.5000  0.5000  0.5000  1
  Al  Al2  2  0.0000  0.5000  0.2568  1
  Cr  Cr3  1  0.0000  0.0000  0.0000  1
  Ir  Ir4  1  0.0000  0.0000  0.5000  1
  Ir  Ir5  1  0.5000  0.5000  0.0000  1
]