data_[La12Al4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9734]
_cell_length_b [4.6801]
_cell_length_c [15.5325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AlSn3]
_chemical_formula_sum '[La12 Al4 Sn12]'
_cell_volume [827.1110]
_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  0.0157  0.5000  0.3820  1
  La  La1  4  0.1041  0.5000  0.9211  1
  La  La2  4  0.2339  0.5000  0.2311  1
  Al  Al3  4  0.2286  0.0000  0.3779  1
  Sn  Sn4  4  0.0126  0.0000  0.2307  1
  Sn  Sn5  4  0.1190  0.0000  0.0760  1
  Sn  Sn6  4  0.1501  0.0000  0.5428  1
]