data_[Mn2Zn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2625]
_cell_length_b [3.2585]
_cell_length_c [4.5557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnZnAu2]
_chemical_formula_sum '[Mn2 Zn2 Au4]'
_cell_volume [132.4999]
_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  0.0015  0.5000  0.4756  1.0
  Zn  Zn1  2  0.2472  0.0000  0.7729  1.0
  Au  Au2  2  0.2576  0.5000  0.2862  1.0
  Au  Au3  2  0.4937  0.5000  0.9653  1.0
]