data_[Y4Si4Ni12]
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 [Imma]
_cell_length_a [4.9270]
_cell_length_b [8.1666]
_cell_length_c [7.7047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [YSiNi3]
_chemical_formula_sum '[Y4 Si4 Ni12]'
_cell_volume [310.0091]
_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  0.2500  0.0415  1
  Si  Si1  4  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.2500  0.0122  0.7500  1
  Ni  Ni3  4  0.0000  0.2500  0.6541  1
]