data_[Y4Ni4Sn12]
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 [Pbcm]
_cell_length_a [12.4238]
_cell_length_b [6.1117]
_cell_length_c [5.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YNiSn3]
_chemical_formula_sum '[Y4 Ni4 Sn12]'
_cell_volume [454.9805]
_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  0.3010  0.5140  0.7500  1.0
  Ni  Ni1  4  0.1090  0.7500  0.0000  1.0
  Sn  Sn2  4  0.0519  0.0923  0.2500  1.0
  Sn  Sn3  4  0.2227  0.0187  0.7500  1.0
  Sn  Sn4  4  0.4972  0.2500  0.0000  1.0
]