data_PmDy2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmDy2Fe
_chemical_formula_sum   'Pm1 Dy2 Fe1'
_cell_volume   166.14
_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
  Pm  Pm3  1  0.36  0.36  0.36  1.0
  Dy  Dy0  1  0.18  0.18  0.18  1.0
  Dy  Dy1  1  0.54  0.54  0.54  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_PmDy2Fe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   15.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PmDy2Fe
_chemical_formula_sum   'Pm3 Dy6 Fe3'
_cell_volume   498.43
_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
  Pm  Pm0  3  0.0  0.0  0.64  1.0
  Dy  Dy1  3  0.0  0.0  0.46  1.0
  Dy  Dy2  3  0.0  0.0  0.82  1.0
  Fe  Fe3  3  0.0  0.0  -0.0  1.0

Pm Dy Dy Fe
Pm Dy Dy Fe 0 1 o o o 0 2 o o o 1 3 o o o 
Dy2PmFe crystallizes in the trigonal R3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted linear geometry to one Pm(1) and one Fe(1) atom. The Dy(1)-Pm(1) bond length is 2.75 Å. The Dy(1)-Fe(1) bond length is 2.75 Å. In the second Dy site, Dy(2) is bonded in a distorted single-bond geometry to one Pm(1) atom. The Dy(2)-Pm(1) bond length is 2.75 Å. Pm(1) is bonded to one Dy(1), one Dy(2), and three equivalent Fe(1) atoms to form distorted corner-sharing PmDy2Fe3 trigonal bipyramids. All Pm(1)-Fe(1) bond lengths are 3.59 Å. Fe(1) is bonded in a 1-coordinate geometry to one Dy(1) and three equivalent Pm(1) atoms.