data_[Pr4Al2Si2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2754]
_cell_length_b [5.0104]
_cell_length_c [7.8978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2AlSiNi6]
_chemical_formula_sum '[Pr4 Al2 Si2 Ni12]'
_cell_volume [331.8825]
_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  0.2474  0.5000  0.7947  1.0
  Al  Al1  2  0.0000  0.5000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  8  0.0220  0.2491  0.2788  1.0
  Ni  Ni4  4  0.2500  0.0000  0.5940  1.0
]