data_NaScRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.63
_cell_length_c   3.03
_cell_angle_alpha   83.0
_cell_angle_beta   74.49
_cell_angle_gamma   22.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScRu
_chemical_formula_sum   'Na1 Sc1 Ru1'
_cell_volume   63.2
_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  0.68  0.53  0.21  1.0
  Sc  Sc2  1  0.68  0.53  0.52  1.0
  Ru  Ru1  1  0.68  0.53  0.16  1.0

data_NaScRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.36
_cell_length_b   14.89
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   123.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaScRu
_chemical_formula_sum   'Na2 Sc2 Ru2'
_cell_volume   126.39
_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
  Na  Na0  2  0.09  0.5  0.11  1.0
  Sc  Sc1  2  0.27  0.0  0.8  1.0
  Ru  Ru2  2  0.13  0.5  0.16  1.0

Na Sc Ru
Na Sc Ru 0 2 o o o 0 1 o o o 1 2 o o o 