data_NaTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.63
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   114.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcRu2
_chemical_formula_sum   'Na1 Tc1 Ru2'
_cell_volume   60.18
_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
  Tc  Tc3  1  0.81  0.0  0.0  1.0
  Ru  Ru1  1  0.91  0.19  0.22  1.0
  Ru  Ru2  1  0.91  0.81  0.22  1.0

data_NaTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   114.63
_cell_angle_beta   101.74
_cell_angle_gamma   101.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcRu2
_chemical_formula_sum   'Na1 Tc1 Ru2'
_cell_volume   60.18
_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
  Tc  Tc1  1  0.0  0.81  0.0  1.0
  Ru  Ru2  1  0.22  0.91  0.19  1.0
  Ru  Ru3  1  0.22  0.91  0.81  1.0

Na Tc Ru Ru
Na Tc Ru Ru 0 1 - o o 0 3 - - o 1 2 o o o 1 3 o - o 