data_[Mn2Ag4Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3191]
_cell_length_b [4.1134]
_cell_length_c [8.7971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(AgAu3)2]
_chemical_formula_sum '[Mn2 Ag4 Au12]'
_cell_volume [320.0092]
_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  0.5000  1.0
  Ag  Ag1  4  0.1667  0.5000  0.0545  1.0
  Au  Au2  4  0.0029  0.0000  0.1707  1.0
  Au  Au3  4  0.1593  0.5000  0.7175  1.0
  Au  Au4  4  0.1691  0.5000  0.3921  1.0
]