data_TaPNCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   11.72
_cell_length_c   15.53
_cell_angle_alpha   90.0
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPNCl7
_chemical_formula_sum   'Ta4 P4 N4 Cl28'
_cell_volume   1210.05
_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
  Ta  Ta0  1  0.08  0.92  0.16  1.0
  Ta  Ta1  1  0.17  0.94  0.69  1.0
  Ta  Ta2  1  0.54  0.79  0.26  1.0
  Ta  Ta3  1  0.64  0.8  0.79  1.0
  P  P4  1  0.22  0.69  0.75  1.0
  P  P5  1  0.5  0.04  0.2  1.0
  P  P6  1  0.59  0.83  0.73  1.0
  P  P7  1  0.12  0.9  0.22  1.0
  N  N8  1  0.19  0.23  0.1  1.0
  N  N9  1  0.62  0.09  0.37  1.0
  N  N10  1  0.53  0.5  0.85  1.0
  N  N11  1  0.09  0.63  0.58  1.0
  Cl  Cl12  1  0.73  0.7  0.44  1.0
  Cl  Cl13  1  0.32  0.47  0.86  1.0
  Cl  Cl14  1  0.23  0.12  0.33  1.0
  Cl  Cl15  1  0.48  0.6  0.62  1.0
  Cl  Cl16  1  0.21  0.93  0.67  1.0
  Cl  Cl17  1  0.85  0.96  0.02  1.0
  Cl  Cl18  1  0.98  0.03  0.51  1.0
  Cl  Cl19  1  0.5  0.79  0.28  1.0
  Cl  Cl20  1  0.47  0.88  0.82  1.0
  Cl  Cl21  1  0.37  0.98  0.29  1.0
  Cl  Cl22  1  0.41  0.79  0.75  1.0
  Cl  Cl23  1  0.08  0.2  0.71  1.0
  Cl  Cl24  1  0.86  0.76  0.93  1.0
  Cl  Cl25  1  0.76  0.63  0.49  1.0
  Cl  Cl26  1  0.39  0.26  0.09  1.0
  Cl  Cl27  1  0.34  0.74  0.65  1.0
  Cl  Cl28  1  0.08  0.56  0.04  1.0
  Cl  Cl29  1  0.96  0.1  0.46  1.0
  Cl  Cl30  1  0.99  0.39  0.19  1.0
  Cl  Cl31  1  0.31  0.93  0.2  1.0
  Cl  Cl32  1  0.09  0.45  0.32  1.0
  Cl  Cl33  1  0.64  0.17  0.91  1.0
  Cl  Cl34  1  0.72  0.34  0.76  1.0
  Cl  Cl35  1  0.53  0.59  0.1  1.0
  Cl  Cl36  1  0.25  0.85  0.13  1.0
  Cl  Cl37  1  0.62  0.28  0.63  1.0
  Cl  Cl38  1  0.63  0.53  0.24  1.0
  Cl  Cl39  1  0.19  0.14  0.85  1.0

data_TaPNCl7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.9
_cell_length_b   11.72
_cell_length_c   15.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaPNCl7
_chemical_formula_sum   'Ta4 P4 N4 Cl28'
_cell_volume   1210.05
_cell_formula_units_Z   4
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
  Ta  Ta0  2  0.1  0.92  0.29  1.0
  Ta  Ta1  2  0.47  0.06  0.19  1.0
  P  P2  2  0.09  0.17  0.23  1.0
  P  P3  2  0.48  0.04  0.25  1.0
  N  N4  2  0.14  0.23  0.4  1.0
  N  N5  2  0.29  0.37  0.13  1.0
  Cl  Cl6  2  0.01  0.34  0.74  1.0
  Cl  Cl7  2  0.04  0.28  0.87  1.0
  Cl  Cl8  2  0.08  0.4  0.12  1.0
  Cl  Cl9  2  0.09  0.83  0.46  1.0
  Cl  Cl10  2  0.12  0.76  0.52  1.0
  Cl  Cl11  2  0.16  0.93  0.3  1.0
  Cl  Cl12  2  0.27  0.98  0.15  1.0
  Cl  Cl13  2  0.27  0.07  0.22  1.0
  Cl  Cl14  2  0.3  0.12  0.32  1.0
  Cl  Cl15  2  0.34  0.7  0.06  1.0
  Cl  Cl16  2  0.39  0.41  0.65  1.0
  Cl  Cl17  2  0.42  0.47  0.79  1.0
  Cl  Cl18  2  0.45  0.9  0.96  1.0
  Cl  Cl19  2  0.49  0.26  0.36  1.0

Ta Ta Ta Ta P P P P N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl