data_[Y8Si8Ni4]
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 [10.3086]
_cell_length_b [4.1988]
_cell_length_c [10.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Si2Ni]
_chemical_formula_sum '[Y8 Si8 Ni4]'
_cell_volume [384.2090]
_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  0.0061  0.0000  0.3289  1.0
  Y  Y1  4  0.1890  0.0000  0.1063  1.0
  Si  Si2  4  0.0082  0.5000  0.8798  1.0
  Si  Si3  4  0.1502  0.5000  0.5619  1.0
  Ni  Ni4  4  0.2257  0.5000  0.3557  1.0
]