data_LaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   10.23
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   114.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaN3
_chemical_formula_sum   'La8 N24'
_cell_volume   600.55
_cell_formula_units_Z   8
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
  La  La0  1  0.71  0.47  0.39  1.0
  La  La1  1  0.28  0.58  0.5  1.0
  La  La2  1  0.08  0.77  0.54  1.0
  La  La3  1  0.51  0.65  0.42  1.0
  La  La4  1  0.75  0.75  0.65  1.0
  La  La5  1  0.24  0.64  0.24  1.0
  La  La6  1  0.04  0.48  0.28  1.0
  La  La7  1  0.56  0.6  0.68  1.0
  N  N8  1  0.33  0.71  0.17  1.0
  N  N9  1  0.66  0.59  0.73  1.0
  N  N10  1  0.46  0.52  0.76  1.0
  N  N11  1  0.14  0.64  0.2  1.0
  N  N12  1  0.89  0.34  0.48  1.0
  N  N13  1  0.1  0.23  0.41  1.0
  N  N14  1  0.9  0.89  0.45  1.0
  N  N15  1  0.7  0.01  0.52  1.0
  N  N16  1  0.15  0.44  0.63  1.0
  N  N17  1  0.84  0.55  0.27  1.0
  N  N18  1  0.64  0.8  0.3  1.0
  N  N19  1  0.95  0.68  0.66  1.0
  N  N20  1  0.99  0.88  0.6  1.0
  N  N21  1  1.0  0.0  0.29  1.0
  N  N22  1  0.8  0.35  0.33  1.0
  N  N23  1  0.8  0.23  0.64  1.0
  N  N24  1  0.22  0.29  0.3  1.0
  N  N25  1  0.77  0.18  0.59  1.0
  N  N26  1  0.58  0.94  0.63  1.0
  N  N27  1  0.02  0.06  0.33  1.0
  N  N28  1  0.14  0.2  0.33  1.0
  N  N29  1  0.85  0.08  0.57  1.0
  N  N30  1  0.65  0.03  0.6  1.0
  N  N31  1  0.94  0.15  0.36  1.0

data_LaN3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.4
_cell_length_b   8.71
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.46
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaN3
_chemical_formula_sum   'La8 N24'
_cell_volume   600.55
_cell_formula_units_Z   8
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
  La  La0  2  0.14  0.32  0.86  1.0
  La  La1  2  0.19  0.58  0.15  1.0
  La  La2  2  0.34  0.28  0.02  1.0
  La  La3  2  0.38  0.54  0.97  1.0
  N  N4  2  0.0  0.48  0.27  1.0
  N  N5  2  0.05  0.4  0.53  1.0
  N  N6  2  0.06  0.7  0.06  1.0
  N  N7  2  0.1  0.64  0.27  1.0
  N  N8  2  0.1  0.33  0.38  1.0
  N  N9  2  0.12  0.37  0.44  1.0
  N  N10  2  0.2  0.45  0.61  1.0
  N  N11  2  0.24  0.24  0.02  1.0
  N  N12  2  0.24  0.36  0.58  1.0
  N  N13  2  0.25  0.66  0.82  1.0
  N  N14  2  0.32  0.33  0.68  1.0
  N  N15  2  0.44  0.2  0.09  1.0

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