data_[Y4Cu4Ni16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7862]
_cell_length_b [14.7901]
_cell_length_c [5.9915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YCuNi4]
_chemical_formula_sum '[Y4 Cu4 Ni16]'
_cell_volume [335.5119]
_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  0.0000  0.1106  0.7500  1
  Cu  Cu1  4  0.0000  0.2353  0.2500  1
  Ni  Ni2  8  0.0000  0.3349  0.5599  1
  Ni  Ni3  4  0.0000  0.0740  0.2500  1
  Ni  Ni4  4  0.0000  0.5000  0.0000  1
]