data_[La20Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5426]
_cell_length_b [6.1863]
_cell_length_c [8.4053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Si2]
_chemical_formula_sum '[La20 Si8]'
_cell_volume [851.2278]
_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  8  0.0874  0.1610  0.9355  1.0
  La  La1  8  0.2296  0.4331  0.3421  1.0
  La  La2  4  0.0000  0.3550  0.2500  1.0
  Si  Si3  8  0.1037  0.3183  0.5909  1.0
]