data_NaFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   152.03
_cell_angle_beta   130.34
_cell_angle_gamma   57.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeRu2
_chemical_formula_sum   'Na1 Fe1 Ru2'
_cell_volume   58.66
_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  Na1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.8  1.0
  Ru  Ru2  1  0.0  0.3  0.04  1.0
  Ru  Ru3  1  0.33  0.0  0.76  1.0

data_NaFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.61
_cell_length_c   5.49
_cell_angle_alpha   114.83
_cell_angle_beta   103.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeRu2
_chemical_formula_sum   'Na1 Fe1 Ru2'
_cell_volume   58.66
_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  Na0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.2  0.2  0.2  1.0
  Ru  Ru2  1  0.57  0.24  0.57  1.0
  Ru  Ru3  1  0.96  0.26  0.26  1.0

Na Fe Ru Ru