data_[Fe6Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3996]
_cell_length_b [2.8945]
_cell_length_c [7.1246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeAg]
_chemical_formula_sum '[Fe6 Ag6]'
_cell_volume [181.1969]
_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
[
  Fe  Fe0  4  0.1614  0.5000  0.3751  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.1769  0.5000  0.8136  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
]