data_[Y3U3Ni51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2475]
_cell_length_b [8.2475]
_cell_length_c [12.0539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YUNi17]
_chemical_formula_sum '[Y3 U3 Ni51]'
_cell_volume [710.0689]
_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  3  0.0000  0.0000  0.3382  1
  U  U1  3  0.0000  0.0000  0.6650  1
  Ni  Ni2  18  0.0365  0.3669  0.6667  1
  Ni  Ni3  9  0.1677  0.3353  0.4867  1
  Ni  Ni4  9  0.1677  0.3355  0.8342  1
  Ni  Ni5  9  0.1698  0.8302  0.1802  1
  Ni  Ni6  3  0.0000  0.0000  0.0967  1
  Ni  Ni7  3  0.0000  0.0000  0.8967  1
]