data_[Ti2Al1In1Ag2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5101]
_cell_length_b [4.5101]
_cell_length_c [6.5011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2AlIn(AgPd)2]
_chemical_formula_sum '[Ti2 Al1 In1 Ag2 Pd2]'
_cell_volume [132.2407]
_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
  Al  Al2  1  0.0000  0.0000  0.0000  1
  In  In3  1  0.5000  0.5000  0.5000  1
  Ag  Ag4  2  0.0000  0.5000  0.7645  1
  Pd  Pd5  2  0.0000  0.5000  0.2303  1
]