data_LaTiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   119.4
_cell_angle_beta   119.18
_cell_angle_gamma   91.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiNO2
_chemical_formula_sum   'La2 Ti2 N2 O4'
_cell_volume   124.9
_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
  La  La0  1  0.41  0.78  0.91  1.0
  La  La1  1  0.41  0.88  0.0  1.0
  Ti  Ti2  1  0.52  0.0  0.96  1.0
  Ti  Ti3  1  0.3  0.0  0.87  1.0
  N  N4  1  0.0  0.42  0.56  1.0
  N  N5  1  0.82  0.42  0.26  1.0
  O  O6  1  0.41  0.55  0.91  1.0
  O  O7  1  0.41  0.45  0.0  1.0
  O  O8  1  0.0  0.25  0.59  1.0
  O  O9  1  0.0  0.42  0.33  1.0

data_LaTiNO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   91.23
_cell_angle_beta   119.18
_cell_angle_gamma   119.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiNO2
_chemical_formula_sum   'La2 Ti2 N2 O4'
_cell_volume   124.9
_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
  La  La0  1  -0.0  0.59  0.12  1.0
  La  La1  1  0.91  0.5  0.13  1.0
  Ti  Ti2  1  0.87  0.57  0.87  1.0
  Ti  Ti3  1  0.96  0.43  0.96  1.0
  N  N4  1  0.26  0.44  0.84  1.0
  N  N5  1  0.56  0.56  0.15  1.0
  O  O6  1  -0.0  0.59  0.55  1.0
  O  O7  1  0.33  0.33  0.91  1.0
  O  O8  1  0.59  0.59  0.34  1.0
  O  O9  1  0.91  0.5  0.36  1.0

La La Ti Ti N N O O O O
La La Ti Ti N N O O O O 0 1 o o + 0 2 o + o 1 2 o + - 1 3 o + - 2 3 o o o 4 8 o o o 5 9 + o o 6 7 o o + 