data_[Mn2Sn2Au28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.5834]
_cell_length_b [5.9742]
_cell_length_c [10.1828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnSnAu14]
_chemical_formula_sum '[Mn2 Sn2 Au28]'
_cell_volume [583.0053]
_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  0.5000  0.0000  0.0448  1
  Sn  Sn1  2  0.5000  0.0000  0.5476  1
  Au  Au2  8  0.2526  0.2450  0.1236  1
  Au  Au3  4  0.0000  0.2482  0.9553  1
  Au  Au4  4  0.2452  0.0000  0.3740  1
  Au  Au5  4  0.2537  0.0000  0.8758  1
  Au  Au6  4  0.5000  0.2482  0.2970  1
  Au  Au7  2  0.0000  0.0000  0.2044  1
  Au  Au8  2  0.0000  0.0000  0.7046  1
]