data_NaDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   135.68
_cell_angle_beta   135.68
_cell_angle_gamma   64.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na2 Dy2 O4'
_cell_volume   111.21
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.0  0.31  0.59  1.0
  Dy  Dy2  1  0.0  0.0  0.19  1.0
  Dy  Dy3  1  0.31  0.0  0.59  1.0
  O  O4  1  0.31  0.0  0.89  1.0
  O  O5  1  0.0  0.0  0.89  1.0
  O  O6  1  0.0  0.0  0.49  1.0
  O  O7  1  0.31  0.0  0.3  1.0

data_NaDyO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.14
_cell_angle_alpha   112.16
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na2 Dy2 O4'
_cell_volume   111.21
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.72  0.31  0.72  1.0
  Dy  Dy2  1  0.41  0.0  0.72  1.0
  Dy  Dy3  1  0.81  0.0  0.81  1.0
  O  O4  1  0.11  0.0  0.42  1.0
  O  O5  1  0.11  0.0  0.11  1.0
  O  O6  1  0.51  0.0  0.51  1.0
  O  O7  1  0.7  0.0  0.02  1.0

Na Na Dy Dy O O O O
Na Na Dy Dy O O O O 0 5 o o - 0 2 o o o 0 7 o o o 1 2 o o o 1 6 o o o 2 3 o o o 2 6 o o o 2 7 o o o 3 6 o o o 3 7 o o o 3 4 o o o 4 6 o o o 4 5 o o o 5 7 o o + 