data_MnRu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRu2Au
_chemical_formula_sum   'Mn1 Ru2 Au1'
_cell_volume   56.77
_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  Mn1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.35  0.91  0.38  1.0
  Ru  Ru3  1  0.35  0.09  0.38  1.0
  Au  Au0  1  0.7  0.0  0.0  1.0

data_MnRu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   109.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRu2Au
_chemical_formula_sum   'Mn1 Ru2 Au1'
_cell_volume   56.77
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.38  0.35  0.09  1.0
  Ru  Ru2  1  0.38  0.35  0.91  1.0
  Au  Au3  1  0.0  0.7  0.0  1.0

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