data_[Pr3Al4Si6]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2031]
_cell_length_b [4.2031]
_cell_length_c [18.0653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr3(Al2Si3)2]
_chemical_formula_sum '[Pr3 Al4 Si6]'
_cell_volume [276.3898]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3877  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Al  Al2  2  0.3333  0.6667  0.7549  1.0
  Al  Al3  2  0.3333  0.6667  0.1400  1.0
  Si  Si4  2  0.3333  0.6667  0.2801  1.0
  Si  Si5  2  0.3333  0.6667  0.8968  1.0
  Si  Si6  2  0.3333  0.6667  0.5029  1.0
]