data_[Pr2Ti1Al3Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3423]
_cell_length_b [4.3423]
_cell_length_c [10.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2TiAl3Pt4]
_chemical_formula_sum '[Pr2 Ti1 Al3 Pt4]'
_cell_volume [196.3355]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.7555  1
  Ti  Ti1  1  0.5000  0.5000  0.5000  1
  Al  Al2  2  0.0000  0.5000  0.1240  1
  Al  Al3  1  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.5000  0.3645  1
  Pt  Pt5  1  0.0000  0.0000  0.0000  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
]