data_[Y4Mg40Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7270]
_cell_length_b [14.2170]
_cell_length_c [14.2901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Y(Mg5Ag)2]
_chemical_formula_sum '[Y4 Mg40 Ag8]'
_cell_volume [1163.5029]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  Mg  Mg1  16  0.0000  0.1091  0.3977  1
  Mg  Mg2  16  0.0000  0.1791  0.1669  1
  Mg  Mg3  8  0.2500  0.0000  0.2500  1
  Ag  Ag4  8  0.2500  0.2500  0.0000  1
]