data_Na3RuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   5.66
_cell_angle_alpha   102.69
_cell_angle_beta   102.69
_cell_angle_gamma   98.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3RuO4
_chemical_formula_sum   'Na12 Ru4 O16'
_cell_volume   375.04
_cell_formula_units_Z   4
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
  Na  Na1  1  0.8  0.2  0.67  1.0
  Na  Na2  1  0.43  0.39  0.22  1.0
  Na  Na3  1  0.5  0.92  0.0  1.0
  Na  Na4  1  0.43  0.61  0.22  1.0
  Na  Na5  1  0.55  0.41  0.67  1.0
  Na  Na6  1  0.5  0.0  0.0  1.0
  Na  Na7  1  0.8  0.8  0.67  1.0
  Na  Na8  1  0.55  0.59  0.67  1.0
  Na  Na9  1  0.66  0.39  0.12  1.0
  Na  Na10  1  0.5  0.08  0.0  1.0
  Na  Na11  1  0.66  0.61  0.12  1.0
  Ru  Ru28  1  0.55  0.24  0.67  1.0
  Ru  Ru29  1  0.29  0.0  0.53  1.0
  Ru  Ru30  1  0.8  0.0  0.8  1.0
  Ru  Ru31  1  0.55  0.76  0.67  1.0
  O  O12  1  0.33  0.56  0.69  1.0
  O  O13  1  0.2  0.0  0.57  1.0
  O  O14  1  0.26  0.53  0.87  1.0
  O  O15  1  0.33  0.44  0.69  1.0
  O  O16  1  0.59  0.61  0.41  1.0
  O  O17  1  0.83  0.53  0.47  1.0
  O  O18  1  0.84  0.0  0.75  1.0
  O  O19  1  0.59  0.39  0.41  1.0
  O  O20  1  0.5  0.61  0.92  1.0
  O  O21  1  0.25  0.0  0.59  1.0
  O  O22  1  0.26  0.47  0.87  1.0
  O  O23  1  0.5  0.39  0.92  1.0
  O  O24  1  0.76  0.56  0.64  1.0
  O  O25  1  0.83  0.47  0.47  1.0
  O  O26  1  0.89  0.0  0.77  1.0
  O  O27  1  0.76  0.44  0.64  1.0

data_Na3RuO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.66
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   98.6
_cell_angle_beta   102.69
_cell_angle_gamma   102.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3RuO4
_chemical_formula_sum   'Na12 Ru4 O16'
_cell_volume   375.04
_cell_formula_units_Z   4
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
  Na  Na1  1  0.0  0.5  0.0  1.0
  Na  Na2  1  0.0  0.5  0.08  1.0
  Na  Na3  1  0.0  0.5  0.92  1.0
  Na  Na4  1  0.12  0.66  0.39  1.0
  Na  Na5  1  0.12  0.66  0.61  1.0
  Na  Na6  1  0.22  0.43  0.39  1.0
  Na  Na7  1  0.22  0.43  0.61  1.0
  Na  Na8  1  0.67  0.55  0.41  1.0
  Na  Na9  1  0.67  0.55  0.59  1.0
  Na  Na10  1  0.67  0.8  0.2  1.0
  Na  Na11  1  0.67  0.8  0.8  1.0
  Ru  Ru12  1  0.53  0.29  0.0  1.0
  Ru  Ru13  1  0.67  0.55  0.24  1.0
  Ru  Ru14  1  0.67  0.55  0.76  1.0
  Ru  Ru15  1  0.8  0.8  0.0  1.0
  O  O16  1  0.41  0.59  0.39  1.0
  O  O17  1  0.41  0.59  0.61  1.0
  O  O18  1  0.47  0.83  0.47  1.0
  O  O19  1  0.47  0.83  0.53  1.0
  O  O20  1  0.57  0.2  0.0  1.0
  O  O21  1  0.59  0.25  0.0  1.0
  O  O22  1  0.64  0.76  0.44  1.0
  O  O23  1  0.64  0.76  0.56  1.0
  O  O24  1  0.69  0.33  0.44  1.0
  O  O25  1  0.69  0.33  0.56  1.0
  O  O26  1  0.75  0.84  0.0  1.0
  O  O27  1  0.77  0.89  0.0  1.0
  O  O28  1  0.87  0.26  0.47  1.0
  O  O29  1  0.87  0.26  0.53  1.0
  O  O30  1  0.92  0.5  0.39  1.0
  O  O31  1  0.92  0.5  0.61  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Ru Ru Ru Ru O O O O O O O O O O O O O O O O
Na Na Na Na Na Na Na Na Na Na Na Na Ru Ru Ru Ru O O O O O O O O O O O O O O O O 0 30 - o - 0 22 - o - 1 31 o o o 1 12 o o o 1 30 o o o 1 22 o o o 1 14 o o o 2 23 o o o 2 4 o o o 2 27 o o - 3 6 o + o 4 24 o o - 4 20 o o o 5 27 o o o 5 8 o o o 5 23 o o o 5 12 o o o 6 10 o o o 7 14 o + o 7 30 o + o 7 22 o + o 8 15 o o o 8 24 o o o 8 20 o o o 9 11 o o o 9 27 o o - 9 23 o o o 11 24 o o - 11 20 o o o 12 27 o o o 13 25 o o o 14 22 o o o 15 20 o o o 16 19 o o o 16 24 o o o 17 25 o o o 18 26 o o o 19 26 o o o 19 27 o o o 20 28 o o o 20 23 o o o 21 29 o o o 21 28 o o o 22 30 o o o 23 31 o o o 24 27 o o o 28 31 o o o 