data_[La8Y12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1183]
_cell_length_b [17.3203]
_cell_length_c [9.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Y3Sn4]
_chemical_formula_sum '[La8 Y12 Sn16]'
_cell_volume [1113.5046]
_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  0.0000  0.1110  0.5893  1.0
  Y  Y1  8  0.2500  0.2073  0.2500  1.0
  Y  Y2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  8  0.0000  0.1871  0.9465  1.0
  Sn  Sn4  8  0.2500  0.0321  0.2500  1.0
]