data_[Mn4Hg3Au1]
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 [Pmm2]
_cell_length_a [3.2310]
_cell_length_b [4.6827]
_cell_length_c [9.5408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn4Hg3Au]
_chemical_formula_sum '[Mn4 Hg3 Au1]'
_cell_volume [144.3507]
_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  0.5000  0.0000  0.3936  1
  Mn  Mn1  1  0.5000  0.0000  0.8979  1
  Mn  Mn2  1  0.5000  0.5000  0.1128  1
  Mn  Mn3  1  0.5000  0.5000  0.5932  1
  Hg  Hg4  1  0.0000  0.0000  0.1463  1
  Hg  Hg5  1  0.0000  0.0000  0.6457  1
  Hg  Hg6  1  0.0000  0.5000  0.8562  1
  Au  Au7  1  0.0000  0.5000  0.3543  1
]