data_Mn2Al2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   148.42
_cell_angle_beta   148.42
_cell_angle_gamma   45.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Al2Au
_chemical_formula_sum   'Mn2 Al2 Au1'
_cell_volume   81.85
_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  Mn3  1  0.0  0.0  0.39  1.0
  Mn  Mn4  1  0.0  0.0  0.96  1.0
  Al  Al0  1  0.0  0.82  0.09  1.0
  Al  Al1  1  0.82  0.0  0.09  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

data_Mn2Al2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2Al2Au
_chemical_formula_sum   'Mn4 Al4 Au2'
_cell_volume   163.7
_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  0.39  0.0  0.39  1.0
  Mn  Mn1  2  0.46  0.5  0.96  1.0
  Al  Al2  4  0.18  0.09  0.27  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Mn Mn Al Al Au