data_[La4Pr8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5076]
_cell_length_b [4.5094]
_cell_length_c [10.8274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(PrSi)2]
_chemical_formula_sum '[La4 Pr8 Si8]'
_cell_volume [547.7588]
_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
[
  La  La0  4  0.2159  0.0000  0.3536  1.0
  Pr  Pr1  4  0.0119  0.5000  0.6856  1.0
  Pr  Pr2  4  0.1830  0.5000  0.0890  1.0
  Si  Si3  4  0.0304  0.0000  0.9061  1.0
  Si  Si4  4  0.1069  0.0000  0.5593  1.0
]