data_MnIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   19.98
_cell_angle_beta   19.98
_cell_angle_gamma   19.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Au
_chemical_formula_sum   'Mn1 In2 Au1'
_cell_volume   80.1
_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  0.0  1.0
  In  In1  1  0.0  0.0  0.28  1.0
  In  In2  1  0.0  0.0  0.83  1.0
  Au  Au0  1  0.0  0.0  0.55  1.0

data_MnIn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnIn2Au
_chemical_formula_sum   'Mn2 In4 Au2'
_cell_volume   160.21
_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  0.0  1.0
  In  In1  2  -0.0  0.0  0.72  1.0
  In  In2  2  -0.0  0.0  0.17  1.0
  Au  Au3  2  -0.0  0.0  0.45  1.0

Mn In In Au