data_NaDy3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   134.67
_cell_angle_beta   134.67
_cell_angle_gamma   66.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaDy3
_chemical_formula_sum   'Na1 Dy3'
_cell_volume   124.7
_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  Na3  1  0.0  0.0  0.0  1.0
  Dy  Dy0  1  0.0  0.0  0.29  1.0
  Dy  Dy1  1  0.0  0.43  0.64  1.0
  Dy  Dy2  1  0.43  0.0  0.64  1.0

data_NaDy3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   123.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaDy3
_chemical_formula_sum   'Na2 Dy6'
_cell_volume   249.4
_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  4  0.29  0.29  0.21  1.0
  Dy  Dy2  2  0.0  0.0  0.29  1.0

Na Dy Dy Dy
Na Dy Dy Dy 0 1 o o o 1 2 o o o 1 3 o o o 