data_[Mn4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4232]
_cell_length_b [3.9205]
_cell_length_c [5.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnAu2]
_chemical_formula_sum '[Mn4 Au8]'
_cell_volume [206.9088]
_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
[
  Mn  Mn0  4  0.1672  0.0000  0.1005  1.0
  Au  Au1  4  0.0123  0.5000  0.7698  1.0
  Au  Au2  4  0.1727  0.0000  0.5970  1.0
]