data_[Y6Ni8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9196]
_cell_length_b [4.2678]
_cell_length_c [8.4737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(Ni2Sn)2]
_chemical_formula_sum '[Y6 Ni8 Sn4]'
_cell_volume [356.6811]
_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  4  0.1281  0.5000  0.3833  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.0767  0.0000  0.6217  1.0
  Ni  Ni3  4  0.2300  0.5000  0.0827  1.0
  Sn  Sn4  4  0.1740  0.5000  0.7792  1.0
]