data_MnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71
_cell_length_b   11.71
_cell_length_c   11.71
_cell_angle_alpha   161.54
_cell_angle_beta   161.54
_cell_angle_gamma   26.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRu2
_chemical_formula_sum   'Mn4 Ru8'
_cell_volume   160.77
_cell_formula_units_Z   4
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  0.88  0.54  1.0
  Mn  Mn1  1  0.0  0.88  0.86  1.0
  Mn  Mn2  1  0.0  0.0  0.84  1.0
  Mn  Mn3  1  0.0  0.0  0.96  1.0
  Ru  Ru4  1  0.0  0.88  0.37  1.0
  Ru  Ru5  1  0.0  0.88  0.03  1.0
  Ru  Ru6  1  0.0  0.0  0.67  1.0
  Ru  Ru7  1  0.0  0.0  0.13  1.0
  Ru  Ru8  1  0.88  0.0  0.78  1.0
  Ru  Ru9  1  0.88  0.0  0.62  1.0
  Ru  Ru10  1  0.0  0.0  0.48  1.0
  Ru  Ru11  1  0.0  0.0  0.32  1.0

data_MnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   11.71
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRu2
_chemical_formula_sum   'Mn4 Ru8'
_cell_volume   160.77
_cell_formula_units_Z   4
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  0.67  0.54  0.67  1.0
  Mn  Mn1  1  0.84  0.84  0.84  1.0
  Mn  Mn2  1  0.96  0.96  0.96  1.0
  Mn  Mn3  1  0.98  0.86  0.98  1.0
  Ru  Ru4  1  0.13  0.13  0.13  1.0
  Ru  Ru5  1  0.15  0.03  0.15  1.0
  Ru  Ru6  1  0.32  0.32  0.32  1.0
  Ru  Ru7  1  0.48  0.48  0.48  1.0
  Ru  Ru8  1  0.49  0.37  0.49  1.0
  Ru  Ru9  1  0.62  0.74  0.74  1.0
  Ru  Ru10  1  0.67  0.67  0.67  1.0
  Ru  Ru11  1  0.78  0.9  0.9  1.0

Mn Mn Mn Mn Ru Ru Ru Ru Ru Ru Ru Ru