data_[Mn2Cu10Au12]
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 [8.8307]
_cell_length_b [8.7132]
_cell_length_c [4.9662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCu5Au6]
_chemical_formula_sum '[Mn2 Cu10 Au12]'
_cell_volume [374.6572]
_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  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.1643  0.5000  1.0
  Cu  Cu2  4  0.0000  0.3316  0.0000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  8  0.2480  0.3326  0.7484  1.0
  Au  Au5  4  0.2470  0.5000  0.2493  1.0
]