data_MnSiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   150.7
_cell_angle_beta   150.7
_cell_angle_gamma   41.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiAu
_chemical_formula_sum   'Mn1 Si1 Au1'
_cell_volume   44.9
_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  Mn1  1  0.0  0.0  0.39  1.0
  Si  Si2  1  0.0  0.0  0.28  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_MnSiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnSiAu
_chemical_formula_sum   'Mn2 Si2 Au2'
_cell_volume   89.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.61  1.0
  Si  Si1  2  0.0  0.0  0.72  1.0
  Au  Au2  2  0.0  0.0  0.97  1.0

Mn Si Au