data_NaDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   5.98
_cell_angle_alpha   104.05
_cell_angle_beta   104.05
_cell_angle_gamma   126.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na4 Dy4 O8'
_cell_volume   223.27
_cell_formula_units_Z   4
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  0.53  0.1  0.26  1.0
  Na  Na1  1  0.53  0.25  0.26  1.0
  Na  Na2  1  0.91  0.75  0.77  1.0
  Na  Na3  1  0.91  0.9  0.77  1.0
  Dy  Dy4  1  0.53  0.89  0.26  1.0
  Dy  Dy5  1  0.53  0.43  0.26  1.0
  Dy  Dy6  1  0.91  0.11  0.77  1.0
  Dy  Dy7  1  0.91  0.57  0.77  1.0
  O  O8  1  0.25  0.5  0.99  1.0
  O  O9  1  0.42  0.84  0.55  1.0
  O  O10  1  0.87  0.5  0.47  1.0
  O  O11  1  0.04  0.16  0.04  1.0
  O  O12  1  0.4  0.84  0.99  1.0
  O  O13  1  0.57  0.5  0.56  1.0
  O  O14  1  0.01  0.16  0.48  1.0
  O  O15  1  0.19  0.5  0.05  1.0

data_NaDyO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.98
_cell_length_b   6.09
_cell_length_c   7.44
_cell_angle_alpha   104.67
_cell_angle_beta   104.05
_cell_angle_gamma   112.9
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaDyO2
_chemical_formula_sum   'Na4 Dy4 O8'
_cell_volume   223.27
_cell_formula_units_Z   4
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
  Na  Na0  2  0.01  0.25  0.94  1.0
  Na  Na1  2  0.15  0.9  0.21  1.0
  Dy  Dy2  2  0.19  0.43  0.12  1.0
  Dy  Dy3  2  0.35  0.11  0.42  1.0
  O  O4  2  0.05  0.5  0.85  1.0
  O  O5  2  0.13  0.16  0.33  1.0
  O  O6  2  0.3  0.84  0.64  1.0
  O  O7  2  0.47  0.5  0.53  1.0

Na Na Na Na Dy Dy Dy Dy O O O O O O O O