data_BaNa2(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   4.75
_cell_length_c   11.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2(SiO3)2
_chemical_formula_sum   'Ba2 Na4 Si4 O12'
_cell_volume   305.76
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.23  0.59  0.1  1.0
  Ba  Ba1  1  0.14  0.22  0.31  1.0
  Na  Na2  1  0.73  0.53  0.55  1.0
  Na  Na3  1  0.36  0.17  0.67  1.0
  Na  Na4  1  0.0  0.54  0.74  1.0
  Na  Na5  1  0.64  0.16  0.85  1.0
  Si  Si18  1  0.86  0.31  0.2  1.0
  Si  Si19  1  0.47  0.97  0.45  1.0
  Si  Si20  1  0.9  0.34  0.96  1.0
  Si  Si21  1  0.51  0.93  0.2  1.0
  O  O6  1  0.86  0.3  0.4  1.0
  O  O7  1  0.61  0.74  0.67  1.0
  O  O8  1  0.94  0.27  0.96  1.0
  O  O9  1  0.04  0.11  0.75  1.0
  O  O10  1  0.97  0.54  0.67  1.0
  O  O11  1  0.21  0.47  0.08  1.0
  O  O12  1  0.16  0.1  0.33  1.0
  O  O13  1  0.4  0.17  0.73  1.0
  O  O14  1  0.33  0.74  0.66  1.0
  O  O15  1  0.42  0.64  0.44  1.0
  O  O16  1  0.76  0.12  0.74  1.0
  O  O17  1  0.51  0.67  0.01  1.0

data_BaNa2(SiO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   5.65
_cell_length_c   11.41
_cell_angle_alpha   91.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2(SiO3)2
_chemical_formula_sum   'Ba2 Na4 Si4 O12'
_cell_volume   305.76
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.41  0.77  0.9  1.0
  Ba  Ba1  1  0.78  0.86  0.69  1.0
  Na  Na2  1  0.46  1.0  0.26  1.0
  Na  Na3  1  0.47  0.27  0.45  1.0
  Na  Na4  1  0.83  0.64  0.33  1.0
  Na  Na5  1  0.84  0.36  0.15  1.0
  Si  Si6  1  0.03  0.53  0.55  1.0
  Si  Si7  1  0.07  0.49  0.8  1.0
  Si  Si8  1  0.66  0.1  0.04  1.0
  Si  Si9  1  0.69  0.14  0.8  1.0
  O  O10  1  0.26  0.39  0.33  1.0
  O  O11  1  0.26  0.67  0.34  1.0
  O  O12  1  0.33  0.49  0.99  1.0
  O  O13  1  0.36  0.58  0.56  1.0
  O  O14  1  0.46  0.03  0.33  1.0
  O  O15  1  0.53  0.79  0.92  1.0
  O  O16  1  0.7  0.14  0.6  1.0
  O  O17  1  0.73  0.06  0.04  1.0
  O  O18  1  0.83  0.6  0.27  1.0
  O  O19  1  0.88  0.24  0.26  1.0
  O  O20  1  0.89  0.96  0.25  1.0
  O  O21  1  0.9  0.84  0.67  1.0

Ba Ba Na Na Na Na Si Si Si Si O O O O O O O O O O O O
Ba Ba Na Na Na Na Si Si Si Si O O O O O O O O O O O O 0 15 o o o 0 9 o o o 0 21 o o o 1 16 o o o 1 6 - o o 1 9 o - o 1 10 - o o 2 19 o o o 2 11 o o o 2 10 o o o 2 14 o o o 3 17 o o o 4 14 - o o 5 20 o o o 6 10 o o o 6 16 + o o 6 15 + o o 6 9 o - o 7 19 o o o 7 9 o o o 8 12 o o o 9 15 o o o 9 19 o o o 9 16 o + o 9 21 o o o 10 16 + o o 11 18 o o o 13 20 - o o 15 21 o o o 