data_[Pr8Zn8Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3280]
_cell_length_b [4.1778]
_cell_length_c [11.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Zn2Si]
_chemical_formula_sum '[Pr8 Zn8 Si4]'
_cell_volume [477.7168]
_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  0.1024  0.0000  0.8958  1
  Pr  Pr1  4  0.2046  0.5000  0.6397  1
  Zn  Zn2  4  0.0378  0.0000  0.4130  1
  Zn  Zn3  4  0.1243  0.5000  0.1207  1
  Si  Si4  4  0.0707  0.5000  0.3173  1
]