data_[Mn2Zn10Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8522]
_cell_length_b [7.8522]
_cell_length_c [8.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [MnZn5Au8]
_chemical_formula_sum '[Mn2 Zn10 Au16]'
_cell_volume [493.3856]
_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  0.5000  0.2500  1.0
  Zn  Zn1  8  0.1251  0.2261  0.9020  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.0713  0.3322  0.5657  1.0
  Au  Au4  8  0.0927  0.1688  0.2293  1.0
]