data_[Y2Ni4Sn2]
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 [Pmma]
_cell_length_a [5.1691]
_cell_length_b [4.0610]
_cell_length_c [6.9280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YNi2Sn]
_chemical_formula_sum '[Y2 Ni4 Sn2]'
_cell_volume [145.4324]
_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  0.2500  0.0000  0.2710  1.0
  Ni  Ni1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  2  0.2500  0.0000  0.8833  1.0
  Sn  Sn3  2  0.2500  0.5000  0.6571  1.0
]