data_[Y6Cu36Ni9Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5855]
_cell_length_b [8.5855]
_cell_length_c [12.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Cu12Ni3Sn]
_chemical_formula_sum '[Y6 Cu36 Ni9 Sn3]'
_cell_volume [788.6901]
_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  6  0.0000  0.0000  0.2584  1
  Cu  Cu1  18  0.0029  0.5015  0.7060  1
  Cu  Cu2  18  0.0462  0.5231  0.1008  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  Sn  Sn4  3  0.0000  0.0000  0.0000  1
]