data_[Pr1Y1Ge2Pt5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3314]
_cell_length_b [4.3314]
_cell_length_c [9.0544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrYGe2Pt5]
_chemical_formula_sum '[Pr1 Y1 Ge2 Pt5]'
_cell_volume [169.8733]
_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  1  0.0000  0.0000  0.5000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  2  0.5000  0.5000  0.1349  1
  Pt  Pt3  4  0.0000  0.5000  0.2667  1
  Pt  Pt4  1  0.5000  0.5000  0.5000  1
]