data_[Ti2Al2Ni2Pt1Rh1]
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
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2887]
_cell_length_b [4.2887]
_cell_length_c [6.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2Al2Ni2PtRh]
_chemical_formula_sum '[Ti2 Al2 Ni2 Pt1 Rh1]'
_cell_volume [111.4544]
_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  0.7452  1
  Al  Al1  2  0.0000  0.5000  0.2513  1
  Ni  Ni2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  1  0.5000  0.5000  0.0000  1
  Pt  Pt4  1  0.0000  0.0000  0.0000  1
  Rh  Rh5  1  0.5000  0.5000  0.5000  1
]