data_[Y6Si8Ni4]
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 [10.3265]
_cell_length_b [4.0756]
_cell_length_c [7.9373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(Si2Ni)2]
_chemical_formula_sum '[Y6 Si8 Ni4]'
_cell_volume [320.8887]
_cell_formula_units_Z [2]
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  0.1231  0.5000  0.6937  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0974  0.0000  0.4109  1.0
  Si  Si3  4  0.2173  0.5000  0.0733  1.0
  Ni  Ni4  4  0.1837  0.5000  0.3532  1.0
]