data_YMn4Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn4Tc
_chemical_formula_sum   'Y1 Mn4 Tc1'
_cell_volume   82.54
_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
  Y  Y5  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.32  0.32  0.59  1.0
  Mn  Mn1  1  0.32  0.59  0.32  1.0
  Mn  Mn2  1  0.59  0.32  0.32  1.0
  Mn  Mn3  1  0.59  0.59  0.59  1.0
  Tc  Tc4  1  0.18  0.18  0.18  1.0

data_YMn4Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMn4Tc
_chemical_formula_sum   'Y3 Mn12 Tc3'
_cell_volume   247.63
_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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  9  0.09  0.18  0.59  1.0
  Mn  Mn2  3  0.0  0.0  0.41  1.0
  Tc  Tc3  3  0.0  0.0  0.82  1.0

Y Mn Mn Mn Mn Tc
YTcMn4 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 4-coordinate geometry to one Tc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. The Y(1)-Tc(1) bond length is 2.20 Å. All Y(1)-Mn(1) bond lengths are 2.26 Å. All Y(1)-Mn(2) bond lengths are 2.97 Å. Tc(1) is bonded in a 4-coordinate geometry to one Y(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. All Tc(1)-Mn(1) bond lengths are 2.42 Å. All Tc(1)-Mn(2) bond lengths are 2.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one Y(1), one Tc(1), one Mn(2), and two equivalent Mn(1) atoms. The Mn(1)-Mn(2) bond length is 2.28 Å. Both Mn(1)-Mn(1) bond lengths are 1.31 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Tc(1), and three equivalent Mn(1) atoms.