data_MnCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuAu2
_chemical_formula_sum   'Mn1 Cu1 Au2'
_cell_volume   63.74
_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  0.44  1.0
  Cu  Cu2  1  0.62  0.62  0.07  1.0
  Au  Au0  1  0.62  0.62  0.9  1.0
  Au  Au1  1  0.0  0.0  0.68  1.0

data_MnCuAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCuAu2
_chemical_formula_sum   'Mn2 Cu2 Au4'
_cell_volume   127.49
_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  0.44  1.0
  Cu  Cu1  2  0.12  0.5  0.07  1.0
  Au  Au2  2  0.0  0.0  0.68  1.0
  Au  Au3  2  0.12  0.5  0.9  1.0

Mn Cu Au Au
Mn Cu Au Au 0 3 o o o 1 2 o o - 