data_[Na1Pr1Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7271]
_cell_length_b [4.7271]
_cell_length_c [9.6596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaPrSn6]
_chemical_formula_sum '[Na1 Pr1 Sn6]'
_cell_volume [215.8510]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0000  0.5000  0.2566  1
  Sn  Sn3  1  0.5000  0.5000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
]