data_Sm3Dy
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Dy
_chemical_formula_sum   'Sm6 Dy2'
_cell_volume   268.35
_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
  Sm  Sm0  1  0.48  0.05  0.45  1.0
  Sm  Sm1  1  0.83  0.05  0.45  1.0
  Sm  Sm2  1  0.65  0.22  0.45  1.0
  Sm  Sm3  1  0.17  0.27  0.36  1.0
  Sm  Sm4  1  0.83  0.27  0.36  1.0
  Sm  Sm5  1  0.0  0.11  0.36  1.0
  Dy  Dy6  1  0.65  0.11  0.36  1.0
  Dy  Dy7  1  0.0  0.22  0.45  1.0

data_Sm3Dy
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.81
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sm3Dy
_chemical_formula_sum   'Sm6 Dy2'
_cell_volume   268.35
_cell_formula_units_Z   2
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
  Sm  Sm0  2  0.05  0.15  0.89  1.0
  Sm  Sm1  2  0.05  0.33  0.05  1.0
  Sm  Sm2  2  0.05  0.5  0.89  1.0
  Dy  Dy3  2  0.05  0.67  0.05  1.0

Sm Sm Sm Sm Sm Sm Dy Dy
Sm Sm Sm Sm Sm Sm Dy Dy 0 6 o o o 0 2 o o o 1 5 + o o 1 7 + o o 2 6 o o o 2 4 o o o 3 7 o o o 3 5 o o o 4 6 o o o 5 7 o o o 