data_[Mn4Cu4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5260]
_cell_length_b [7.9186]
_cell_length_c [5.2025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Cu2Au7]
_chemical_formula_sum '[Mn4 Cu4 Au14]'
_cell_volume [390.0297]
_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  0.0000  0.1885  0.5000  1
  Cu  Cu1  4  0.2101  0.0000  0.7194  1
  Au  Au2  8  0.2409  0.1773  0.2448  1
  Au  Au3  4  0.0170  0.5000  0.2510  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]