data_Na2InRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   140.43
_cell_angle_beta   140.43
_cell_angle_gamma   57.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InRu
_chemical_formula_sum   'Na2 In1 Ru1'
_cell_volume   80.15
_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  0.98  0.56  1.0
  Na  Na2  1  0.98  0.0  0.56  1.0
  In  In0  1  0.0  0.0  0.13  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Na2InRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   118.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2InRu
_chemical_formula_sum   'Na4 In2 Ru2'
_cell_volume   160.29
_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  4  0.08  0.49  0.59  1.0
  In  In1  2  0.13  0.0  0.13  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Na Na In Ru
Na Na In Ru 0 1 - + o 2 3 o o o 