data_YTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaNO2
_chemical_formula_sum   'Y1 Ta1 N1 O2'
_cell_volume   75.47
_cell_formula_units_Z   1
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
  Y  Y1  1  0.51  0.5  0.5  1.0
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  N  N2  1  0.5  0.0  0.5  1.0
  O  O3  1  0.5  0.5  0.0  1.0
  O  O4  1  0.0  0.5  0.5  1.0

data_YTaNO2
_symmetry_space_group_name_H-M   P4/mmm
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   123
_chemical_formula_structural   YTaNO2
_chemical_formula_sum   'Y1 Ta1 N1 O2'
_cell_volume   75.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, 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
  Y  Y0  1  0.5  0.5  0.5  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  N  N2  1  0.5  0.5  0.0  1.0
  O  O3  2  0.0  0.5  0.5  1.0

Y Ta N O O