data_[Y2Al4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [7.3460]
_cell_length_b [5.3832]
_cell_length_c [6.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(AlSn)2]
_chemical_formula_sum '[Y2 Al4 Sn4]'
_cell_volume [243.7843]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.0000  0.2390  0.5000  1
  Sn  Sn2  4  0.1693  0.5000  0.2243  1
]