The material described by TbMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Tb(1) is bonded to two equivalent Sn(3) and six equivalent Sn(1) atoms to form distorted edge-sharing TbSn8 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tb(1), six equivalent Mn(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Tb(MnSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.693
_cell_length_c   9.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   257.414
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.753  1.0
  Mn  Mn2  1  0.500  0.500  0.753  1.0
  Mn  Mn3  1  0.000  0.500  0.753  1.0
  Mn  Mn4  1  0.500  0.000  0.247  1.0
  Mn  Mn5  1  0.500  0.500  0.247  1.0
  Mn  Mn6  1  0.000  0.500  0.247  1.0
  Sn  Sn7  1  0.333  0.667  0.000  1.0
  Sn  Sn8  1  0.667  0.333  0.000  1.0
  Sn  Sn9  1  0.333  0.667  0.500  1.0
  Sn  Sn10  1  0.667  0.333  0.500  1.0
  Sn  Sn11  1  0.000  0.000  0.664  1.0
  Sn  Sn12  1  0.000  0.000  0.336  1.0
[/CIF]
.
The material described by TbMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Tb(1) is bonded to two equivalent Sn(3) and six equivalent Sn(1) atoms to form distorted edge-sharing TbSn8 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tb(1), six equivalent Mn(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Tb(MnSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.693
_cell_length_c   9.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   257.414
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.753  1.0
  Mn  Mn2  1  0.500  0.500  0.753  1.0
  Mn  Mn3  1  0.000  0.500  0.753  1.0
  Mn  Mn4  1  0.500  0.000  0.247  1.0
  Mn  Mn5  1  0.500  0.500  0.247  1.0
  Mn  Mn6  1  0.000  0.500  0.247  1.0
  Sn  Sn7  1  0.333  0.667  0.000  1.0
  Sn  Sn8  1  0.667  0.333  0.000  1.0
  Sn  Sn9  1  0.333  0.667  0.500  1.0
  Sn  Sn10  1  0.667  0.333  0.500  1.0
  Sn  Sn11  1  0.000  0.000  0.664  1.0
  Sn  Sn12  1  0.000  0.000  0.336  1.0
[/CIF]
.