data_[Y6Si6Ag6]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0965]
_cell_length_b [4.2255]
_cell_length_c [12.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YSiAg]
_chemical_formula_sum '[Y6 Si6 Ag6]'
_cell_volume [363.4885]
_cell_formula_units_Z [6]
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  0.0232  0.7500  0.7066  1
  Y  Y1  2  0.3405  0.2500  0.0805  1
  Y  Y2  2  0.4763  0.2500  0.3762  1
  Si  Si3  2  0.2417  0.2500  0.5809  1
  Si  Si4  2  0.2476  0.7500  0.9131  1
  Si  Si5  2  0.2655  0.7500  0.2501  1
  Ag  Ag6  2  0.0051  0.7500  0.0892  1
  Ag  Ag7  2  0.1481  0.7500  0.4594  1
  Ag  Ag8  2  0.3606  0.2500  0.7957  1
]