data_NaDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   33.73
_cell_angle_beta   33.73
_cell_angle_gamma   33.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na1 Dy1 O2'
_cell_volume   56.8
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Dy  Dy1  1  0.0  0.0  0.36  1.0
  O  O2  1  0.0  0.0  0.96  1.0
  O  O3  1  0.0  0.0  0.75  1.0

data_NaDyO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na2 Dy2 O4'
_cell_volume   113.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Dy  Dy1  2  -0.0  0.0  0.64  1.0
  O  O2  2  0.0  0.0  0.04  1.0
  O  O3  2  0.0  0.0  0.25  1.0

Na Dy O O