data_[Mn2Ag16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7738]
_cell_length_b [8.7738]
_cell_length_c [4.1484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [MnAg8]
_chemical_formula_sum '[Mn2 Ag16]'
_cell_volume [319.3389]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  8  0.0000  0.3309  0.0000  1.0
  Ag  Ag2  8  0.1641  0.1641  0.5000  1.0
]