data_[Mn4Hg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5994]
_cell_length_b [3.1146]
_cell_length_c [4.7737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2HgAu]
_chemical_formula_sum '[Mn4 Hg2 Au2]'
_cell_volume [139.5677]
_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  0.2492  0.0000  0.7304  1
  Mn  Mn1  2  0.4972  0.5000  0.0113  1
  Hg  Hg2  2  0.2483  0.5000  0.2260  1
  Au  Au3  2  0.0053  0.5000  0.5323  1
]