data_[Y6Si12Ni18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2976]
_cell_length_b [3.7788]
_cell_length_c [9.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSi2Ni3]
_chemical_formula_sum '[Y6 Si12 Ni18]'
_cell_volume [511.5708]
_cell_formula_units_Z [6]
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  0.1551  0.0000  0.6987  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0301  0.5000  0.7728  1
  Si  Si3  4  0.1388  0.5000  0.4510  1
  Si  Si4  4  0.2001  0.0000  0.1308  1
  Ni  Ni5  4  0.0474  0.0000  0.3415  1
  Ni  Ni6  4  0.1268  0.5000  0.2036  1
  Ni  Ni7  4  0.1770  0.5000  0.9685  1
  Ni  Ni8  4  0.2164  0.0000  0.3931  1
  Ni  Ni9  2  0.0000  0.5000  0.5000  1
]