data_[Mn4In2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2024]
_cell_length_b [3.0350]
_cell_length_c [7.5937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2InAu8]
_chemical_formula_sum '[Mn4 In2 Au16]'
_cell_volume [414.1492]
_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  4  0.1928  0.0000  0.6900  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.0539  0.0000  0.7446  1.0
  Au  Au3  4  0.0815  0.5000  0.4353  1.0
  Au  Au4  4  0.1806  0.5000  0.9873  1.0
  Au  Au5  4  0.1894  0.0000  0.3233  1.0
]