data_NaMn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn4Ru
_chemical_formula_sum   'Na1 Mn4 Ru1'
_cell_volume   75.32
_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
  Na  Na4  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.51  0.51  0.19  1.0
  Mn  Mn1  1  0.51  0.19  0.51  1.0
  Mn  Mn2  1  0.19  0.51  0.51  1.0
  Mn  Mn3  1  0.19  0.19  0.19  1.0
  Ru  Ru5  1  0.68  0.68  0.68  1.0

data_NaMn4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMn4Ru
_chemical_formula_sum   'Na3 Mn12 Ru3'
_cell_volume   225.97
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  9  0.21  0.1  0.6  1.0
  Mn  Mn2  3  0.0  0.0  0.81  1.0
  Ru  Ru3  3  0.0  0.0  0.32  1.0

Na Mn Mn Mn Mn Ru
Na Mn Mn Mn Mn Ru 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o o 0 2 o o - 0 1 - o o 0 1 o - o 0 3 o - o 0 3 o o - 0 4 o o o 1 2 o o o 1 3 o o o 1 4 + o o 1 4 o + o 1 4 o o o 1 5 o o - 2 3 o o o 2 4 + o o 2 4 o o + 2 4 o o o 2 5 o - o 3 4 o + o 3 4 o o + 3 4 o o o 3 5 - o o 