data_[Mn2Si4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9652]
_cell_length_b [4.0830]
_cell_length_c [8.8112]
_cell_angle_alpha [91.0155]
_cell_angle_beta [94.9857]
_cell_angle_gamma [110.5279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2Si4Au]
_chemical_formula_sum '[Mn2 Si4 Au1]'
_cell_volume [99.3915]
_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  2  0.2820  0.6595  0.8044  1
  Si  Si1  2  0.0471  0.9409  0.2962  1
  Si  Si2  2  0.3823  0.7296  0.0772  1
  Au  Au3  1  0.0000  0.5000  0.5000  1
]