data_[Mn1Cu8Au4]
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 [Pmm2]
_cell_length_a [2.7569]
_cell_length_b [4.3193]
_cell_length_c [15.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn(Cu2Au)4]
_chemical_formula_sum '[Mn1 Cu8 Au4]'
_cell_volume [189.6783]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6697  1
  Cu  Cu1  1  0.0000  0.0000  0.2263  1
  Cu  Cu2  1  0.0000  0.0000  0.5141  1
  Cu  Cu3  1  0.0000  0.5000  0.4265  1
  Cu  Cu4  1  0.0000  0.5000  0.7593  1
  Cu  Cu5  1  0.5000  0.0000  0.0920  1
  Cu  Cu6  1  0.5000  0.0000  0.8052  1
  Cu  Cu7  1  0.5000  0.5000  0.2733  1
  Cu  Cu8  1  0.5000  0.5000  0.8964  1
  Au  Au9  1  0.0000  0.0000  0.9512  1
  Au  Au10  1  0.0000  0.5000  0.1226  1
  Au  Au11  1  0.5000  0.0000  0.3704  1
  Au  Au12  1  0.5000  0.5000  0.5900  1
]