data_[Pr12Zn4Sn12]
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 [11.7986]
_cell_length_b [4.6084]
_cell_length_c [15.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3ZnSn3]
_chemical_formula_sum '[Pr12 Zn4 Sn12]'
_cell_volume [791.3547]
_cell_formula_units_Z [4]
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  0.0208  0.5000  0.3820  1
  Pr  Pr1  4  0.1017  0.5000  0.9207  1
  Pr  Pr2  4  0.2373  0.5000  0.2302  1
  Zn  Zn3  4  0.2248  0.0000  0.3843  1
  Sn  Sn4  4  0.0170  0.0000  0.2313  1
  Sn  Sn5  4  0.1224  0.0000  0.0762  1
  Sn  Sn6  4  0.1493  0.0000  0.5457  1
]