data_[Mn10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1335]
_cell_length_b [2.6916]
_cell_length_c [13.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn5Au]
_chemical_formula_sum '[Mn10 Au2]'
_cell_volume [155.4305]
_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  0.3203  1
  Mn  Mn1  2  0.0000  0.0000  0.6796  1
  Mn  Mn2  2  0.5000  0.0000  0.1292  1
  Mn  Mn3  2  0.5000  0.0000  0.4243  1
  Mn  Mn4  2  0.5000  0.0000  0.7763  1
  Au  Au5  2  0.0000  0.0000  0.0035  1
]