data_PmTm2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmTm2Co
_chemical_formula_sum   'Pm1 Tm2 Co1'
_cell_volume   92.43
_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  Pm1  1  0.59  0.59  0.59  1.0
  Tm  Tm2  1  0.38  0.38  0.38  1.0
  Tm  Tm3  1  0.79  0.79  0.79  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_PmTm2Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PmTm2Co
_chemical_formula_sum   'Pm3 Tm6 Co3'
_cell_volume   277.29
_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  0.41  1.0
  Tm  Tm1  3  0.0  0.0  0.21  1.0
  Tm  Tm2  3  0.0  0.0  0.62  1.0
  Co  Co3  3  0.0  0.0  0.0  1.0

Pm Tm Tm Co
Tm2PmCo is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one Pm(1) and three equivalent Co(1) atoms to form distorted corner-sharing TmPmCo3 tetrahedra. The Tm(1)-Pm(1) bond length is 2.56 Å. All Tm(1)-Co(1) bond lengths are 2.99 Å. In the second Tm site, Tm(2) is bonded in a 2-coordinate geometry to one Pm(1) and four equivalent Co(1) atoms. The Tm(2)-Pm(1) bond length is 2.56 Å. There is one shorter (2.56 Å) and three longer (3.33 Å) Tm(2)-Co(1) bond lengths. Pm(1) is bonded in a 5-coordinate geometry to one Tm(1), one Tm(2), and three equivalent Co(1) atoms. All Pm(1)-Co(1) bond lengths are 3.09 Å. Co(1) is bonded in a 10-coordinate geometry to three equivalent Tm(1), four equivalent Tm(2), and three equivalent Pm(1) atoms.