data_Dy6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy6Fe23
_chemical_formula_sum   'Dy6 Fe23'
_cell_volume   422.95
_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
  Dy  Dy0  1  0.96  0.43  0.96  1.0
  Dy  Dy1  1  0.43  0.96  0.96  1.0
  Dy  Dy2  1  0.96  0.96  0.43  1.0
  Dy  Dy3  1  0.48  0.96  0.96  1.0
  Dy  Dy4  1  0.96  0.48  0.96  1.0
  Dy  Dy5  1  0.96  0.96  0.48  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Fe  Fe7  1  0.98  0.98  0.96  1.0
  Fe  Fe8  1  0.98  0.96  0.98  1.0
  Fe  Fe9  1  0.96  0.98  0.98  1.0
  Fe  Fe10  1  0.86  0.86  0.86  1.0
  Fe  Fe11  1  0.51  0.45  0.51  1.0
  Fe  Fe12  1  0.45  0.51  0.51  1.0
  Fe  Fe13  1  0.51  0.51  0.45  1.0
  Fe  Fe14  1  0.09  0.09  0.86  1.0
  Fe  Fe15  1  0.86  0.09  0.09  1.0
  Fe  Fe16  1  0.09  0.86  0.09  1.0
  Fe  Fe17  1  0.47  0.47  0.47  1.0
  Fe  Fe18  1  0.98  0.98  0.0  1.0
  Fe  Fe19  1  0.0  0.98  0.98  1.0
  Fe  Fe20  1  0.98  0.0  0.98  1.0
  Fe  Fe21  1  0.45  0.45  0.45  1.0
  Fe  Fe22  1  0.82  0.05  0.82  1.0
  Fe  Fe23  1  0.05  0.82  0.82  1.0
  Fe  Fe24  1  0.82  0.82  0.05  1.0
  Fe  Fe25  1  0.4  0.4  0.47  1.0
  Fe  Fe26  1  0.47  0.4  0.4  1.0
  Fe  Fe27  1  0.4  0.47  0.4  1.0
  Fe  Fe28  1  0.05  0.05  0.05  1.0

data_Dy6Fe23
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   20.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Dy6Fe23
_chemical_formula_sum   'Dy18 Fe69'
_cell_volume   1268.86
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Dy  Dy0  9  0.02  0.51  0.55  1.0
  Dy  Dy1  9  0.18  0.35  0.87  1.0
  Fe  Fe2  9  0.01  0.01  0.01  1.0
  Fe  Fe3  9  0.01  0.01  0.03  1.0
  Fe  Fe4  9  0.02  0.04  0.57  1.0
  Fe  Fe5  9  0.04  0.02  0.51  1.0
  Fe  Fe6  9  0.08  0.15  0.1  1.0
  Fe  Fe7  9  0.15  0.08  0.98  1.0
  Fe  Fe8  3  0.0  0.0  0.0  1.0
  Fe  Fe9  3  0.0  0.0  0.14  1.0
  Fe  Fe10  3  0.0  0.0  0.53  1.0
  Fe  Fe11  3  0.0  0.0  0.55  1.0
  Fe  Fe12  3  0.0  0.0  0.95  1.0

Dy Dy Dy Dy Dy Dy Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe