data_[Y16Ni2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5756]
_cell_length_b [5.2294]
_cell_length_c [6.8189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8NiAg2]
_chemical_formula_sum '[Y16 Ni2 Ag4]'
_cell_volume [600.3110]
_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  0.0275  0.0000  0.7875  1.0
  Y  Y1  4  0.0892  0.5000  0.4345  1.0
  Y  Y2  4  0.1579  0.5000  0.9692  1.0
  Y  Y3  4  0.2016  0.0000  0.3129  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1856  0.0000  0.7246  1.0
]