data_[Mn2Cu2Au8]
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 [4.8454]
_cell_length_b [8.8089]
_cell_length_c [4.8559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnCuAu4]
_chemical_formula_sum '[Mn2 Cu2 Au8]'
_cell_volume [199.9743]
_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  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  4  0.0000  0.1609  0.5000  1.0
  Au  Au3  4  0.0000  0.3394  0.0000  1.0
]