data_[La20Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5208]
_cell_length_b [16.2872]
_cell_length_c [8.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La5Sn4]
_chemical_formula_sum '[La20 Sn16]'
_cell_volume [1196.5665]
_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  0.0263  0.6008  0.1810  1
  La  La1  8  0.1191  0.1173  0.3383  1
  La  La2  4  0.2101  0.7500  0.5039  1
  Sn  Sn3  8  0.2194  0.5433  0.5320  1
  Sn  Sn4  4  0.0816  0.7500  0.8868  1
  Sn  Sn5  4  0.1713  0.2500  0.6389  1
]