data_[Y3Ni9Sn6]
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 [P-62m]
_cell_length_a [9.2982]
_cell_length_b [9.2982]
_cell_length_c [4.2176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [YNi3Sn2]
_chemical_formula_sum '[Y3 Ni9 Sn6]'
_cell_volume [315.7883]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  6  0.1676  0.7932  0.0000  1.0
  Ni  Ni3  3  0.0000  0.2963  0.5000  1.0
  Sn  Sn4  3  0.0000  0.4708  0.0000  1.0
  Sn  Sn5  3  0.0000  0.7472  0.5000  1.0
]