data_[La6Sc4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9178]
_cell_length_b [4.6703]
_cell_length_c [9.6395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(ScSn2)2]
_chemical_formula_sum '[La6 Sc4 Sn8]'
_cell_volume [535.9679]
_cell_formula_units_Z [2]
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  0.1228  0.5000  0.6949  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.1881  0.5000  0.3579  1
  Sn  Sn3  4  0.0774  0.0000  0.4034  1
  Sn  Sn4  4  0.2071  0.5000  0.0673  1
]