data_Ba3W3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   7.58
_cell_length_c   9.28
_cell_angle_alpha   106.61
_cell_angle_beta   101.39
_cell_angle_gamma   95.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3W3N5
_chemical_formula_sum   'Ba6 W6 N10'
_cell_volume   406.99
_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  0.7  0.5  0.29  1.0
  Ba  Ba1  1  0.03  0.23  0.36  1.0
  Ba  Ba2  1  0.82  0.01  0.62  1.0
  Ba  Ba3  1  0.91  0.72  0.03  1.0
  Ba  Ba4  1  0.18  0.31  0.85  1.0
  Ba  Ba5  1  0.55  0.42  0.8  1.0
  W  W6  1  0.72  0.61  0.4  1.0
  W  W7  1  0.02  0.11  0.25  1.0
  W  W8  1  0.65  0.61  0.92  1.0
  W  W9  1  0.08  0.12  0.73  1.0
  W  W10  1  0.81  0.86  0.07  1.0
  W  W11  1  0.92  0.86  0.58  1.0
  N  N12  1  0.15  0.67  0.71  1.0
  N  N13  1  0.58  0.06  0.94  1.0
  N  N14  1  0.94  0.14  0.55  1.0
  N  N15  1  0.79  0.58  0.1  1.0
  N  N16  1  0.8  0.39  0.11  1.0
  N  N17  1  0.93  0.33  0.54  1.0
  N  N18  1  0.63  0.39  0.38  1.0
  N  N19  1  0.11  0.33  0.27  1.0
  N  N20  1  0.78  0.56  0.53  1.0
  N  N21  1  0.96  0.16  0.12  1.0

data_Ba3W3N5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.23
_cell_length_b   7.58
_cell_length_c   9.28
_cell_angle_alpha   106.61
_cell_angle_beta   101.39
_cell_angle_gamma   95.03
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba3W3N5
_chemical_formula_sum   'Ba6 W6 N10'
_cell_volume   406.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.05  0.48  1.0
  Ba  Ba1  2  0.33  0.13  0.97  1.0
  Ba  Ba2  2  0.46  0.64  0.3  1.0
  W  W3  2  0.29  0.25  0.59  1.0
  W  W4  2  0.35  0.25  0.07  1.0
  W  W5  2  0.45  0.5  0.74  1.0
  N  N6  2  0.22  0.69  0.62  1.0
  N  N7  2  0.26  0.03  0.05  1.0
  N  N8  2  0.41  0.2  0.21  1.0
  N  N9  2  0.43  0.22  0.77  1.0
  N  N10  2  0.43  0.03  0.78  1.0

Ba Ba Ba Ba Ba Ba W W W W W W N N N N N N N N N N