data_MnCuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   141.28
_cell_angle_beta   138.89
_cell_angle_gamma   57.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuAu
_chemical_formula_sum   'Mn1 Cu1 Au1'
_cell_volume   44.64
_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  Mn2  1  0.0  0.0  0.74  1.0
  Cu  Cu1  1  0.0  0.0  0.63  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_MnCuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.36
_cell_length_c   4.78
_cell_angle_alpha   110.55
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuAu
_chemical_formula_sum   'Mn1 Cu1 Au1'
_cell_volume   44.64
_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  Mn0  1  0.0  0.74  0.74  1.0
  Cu  Cu1  1  0.0  0.63  0.63  1.0
  Au  Au2  1  0.0  0.01  0.01  1.0

Mn Cu Au
Mn Cu Au 0 1 o o o 0 2 o o + 