data_Mn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   141.81
_cell_angle_beta   141.81
_cell_angle_gamma   55.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Ru
_chemical_formula_sum   'Mn4 Ru1'
_cell_volume   61.48
_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  0.78  0.0  0.42  1.0
  Mn  Mn1  1  0.0  0.0  0.8  1.0
  Mn  Mn2  1  0.0  0.0  0.87  1.0
  Mn  Mn3  1  0.0  0.78  0.42  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0

data_Mn4Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   117.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn4Ru
_chemical_formula_sum   'Mn8 Ru2'
_cell_volume   122.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.39  0.39  0.37  1.0
  Mn  Mn1  2  0.0  0.0  0.13  1.0
  Mn  Mn2  2  0.0  0.0  0.2  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Ru