data_[Pr16Zn2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9477]
_cell_length_b [5.2879]
_cell_length_c [6.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8ZnSn2]
_chemical_formula_sum '[Pr16 Zn2 Sn4]'
_cell_volume [706.6320]
_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  4  0.0138  0.0000  0.7793  1.0
  Pr  Pr1  4  0.0920  0.5000  0.4753  1.0
  Pr  Pr2  4  0.1537  0.5000  0.9945  1.0
  Pr  Pr3  4  0.2139  0.0000  0.3143  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1780  0.0000  0.7481  1.0
]