data_MnInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   21.03
_cell_angle_beta   21.03
_cell_angle_gamma   21.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInAu2
_chemical_formula_sum   'Mn1 In1 Au2'
_cell_volume   77.61
_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  In2  1  0.0  0.0  0.95  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0
  Au  Au1  1  0.0  0.0  0.65  1.0

data_MnInAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   102.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnInAu2
_chemical_formula_sum   'Mn2 In2 Au4'
_cell_volume   155.23
_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  0.05  1.0
  Au  Au2  2  0.0  0.0  0.35  1.0
  Au  Au3  2  0.0  0.0  0.76  1.0

Mn In Au Au
Mn In Au Au 0 1 o o - 0 2 o o o 0 3 o o - 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 