data_[Pr12Zn8Si12]
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 [Cmcm]
_cell_length_a [4.1984]
_cell_length_b [11.1449]
_cell_length_c [15.4329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Zn2Si3]
_chemical_formula_sum '[Pr12 Zn8 Si12]'
_cell_volume [722.1197]
_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  8  0.0000  0.1461  0.5943  1
  Pr  Pr1  4  0.0000  0.4474  0.7500  1
  Zn  Zn2  8  0.0000  0.1442  0.1176  1
  Si  Si3  8  0.0000  0.4263  0.5544  1
  Si  Si4  4  0.0000  0.2762  0.2500  1
]