data_[Pr2Fe2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7048]
_cell_length_b [4.7048]
_cell_length_c [10.9128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PrFeSn3]
_chemical_formula_sum '[Pr2 Fe2 Sn6]'
_cell_volume [241.5556]
_cell_formula_units_Z [2]
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  0.0000  0.4408  1.0
  Fe  Fe1  2  0.0000  0.0000  0.7629  1.0
  Sn  Sn2  4  0.0000  0.5000  0.1833  1.0
  Sn  Sn3  2  0.0000  0.0000  0.9859  1.0
]