data_MnRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRu3
_chemical_formula_sum   'Mn2 Ru6'
_cell_volume   110.99
_cell_formula_units_Z   2
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  0.4  0.4  0.4  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.4  0.6  0.0  1.0
  Ru  Ru3  1  0.4  0.2  0.0  1.0
  Ru  Ru4  1  0.6  0.0  0.4  1.0
  Ru  Ru5  1  0.0  0.4  0.6  1.0
  Ru  Ru6  1  0.0  0.4  0.2  1.0
  Ru  Ru7  1  0.2  0.0  0.4  1.0

data_MnRu3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   MnRu3
_chemical_formula_sum   'Mn6 Ru18'
_cell_volume   332.98
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.4  1.0
  Ru  Ru2  9  0.0  0.8  0.2  1.0
  Ru  Ru3  9  0.07  0.34  0.34  1.0

Mn Mn Ru Ru Ru Ru Ru Ru