data_[Gd1Y1Si2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  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 [P4mm]
_cell_length_a [4.0786]
_cell_length_b [4.0786]
_cell_length_c [6.4540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GdY(SiNi)2]
_chemical_formula_sum '[Gd1 Y1 Si2 Ni2]'
_cell_volume [107.3619]
_cell_formula_units_Z [1]
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
[
  Gd  Gd0  1  0.0000  0.0000  0.3202  1
  Y  Y1  1  0.5000  0.5000  0.6832  1
  Si  Si2  1  0.0000  0.0000  0.8056  1
  Si  Si3  1  0.5000  0.5000  0.1918  1
  Ni  Ni4  2  0.0000  0.5000  0.9997  1
]