data_MnFeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   153.68
_cell_angle_beta   153.68
_cell_angle_gamma   37.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeRu
_chemical_formula_sum   'Mn1 Fe1 Ru1'
_cell_volume   36.55
_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  Mn1  1  0.0  0.0  0.65  1.0
  Fe  Fe0  1  0.0  0.0  0.74  1.0
  Ru  Ru2  1  0.0  0.0  0.23  1.0

data_MnFeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnFeRu
_chemical_formula_sum   'Mn2 Fe2 Ru2'
_cell_volume   73.09
_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  2  0.0  0.0  0.35  1.0
  Fe  Fe1  2  0.0  0.0  0.26  1.0
  Ru  Ru2  2  0.0  0.0  0.77  1.0

Mn Fe Ru