data_Mn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   146.05
_cell_angle_beta   132.29
_cell_angle_gamma   59.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ru
_chemical_formula_sum   'Mn2 Ru1'
_cell_volume   36.12
_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  0.55  1.0
  Mn  Mn1  1  0.0  0.0  0.16  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Mn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.6
_cell_length_c   4.45
_cell_angle_alpha   113.86
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ru
_chemical_formula_sum   'Mn2 Ru1'
_cell_volume   36.12
_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  0.45  0.45  0.45  1.0
  Mn  Mn1  1  0.84  0.84  0.84  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

Mn Mn Ru