data_[Y12Si4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.3066]
_cell_length_b [4.2805]
_cell_length_c [11.9127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y3SiSn2]
_chemical_formula_sum '[Y12 Si4 Sn8]'
_cell_volume [627.5485]
_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
[
  Y  Y0  4  0.0549  0.2500  0.3791  1
  Y  Y1  4  0.1143  0.7500  0.9527  1
  Y  Y2  4  0.2370  0.2500  0.7179  1
  Si  Si3  4  0.1262  0.2500  0.1285  1
  Sn  Sn4  4  0.0025  0.2500  0.7982  1
  Sn  Sn5  4  0.1903  0.7500  0.5023  1
]