data_[Y4Si2Ni2]
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 [P2_1/m]
_cell_length_a [5.7819]
_cell_length_b [4.0947]
_cell_length_c [7.7583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y2SiNi]
_chemical_formula_sum '[Y4 Si2 Ni2]'
_cell_volume [172.3057]
_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  2  0.2205  0.2500  0.4139  1
  Y  Y1  2  0.2228  0.2500  0.9433  1
  Si  Si2  2  0.3457  0.7500  0.7105  1
  Ni  Ni3  2  0.3913  0.7500  0.2221  1
]