data_TaSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbSe2
_chemical_formula_sum   'Ta1 Sb1 Se2'
_cell_volume   79.93
_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
  Ta  Ta3  1  0.46  0.46  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.46  0.65  1.0
  Se  Se2  1  0.46  0.0  0.65  1.0

data_TaSbSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSbSe2
_chemical_formula_sum   'Ta2 Sb2 Se4'
_cell_volume   159.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.46  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Se  Se2  4  0.23  0.23  0.65  1.0

Ta Sb Se Se
Ta Sb Se Se 0 1 o o o 0 2 o o - 0 2 o o o 0 2 + o - 0 3 o o - 0 3 o o o 0 3 o + - 0 0 o o + 1 3 - o - 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o o - 1 2 o o o 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
TaSbSe2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 4-coordinate geometry to eight equivalent Se(1) atoms. There are a spread of Ta(1)-Se(1) bond distances ranging from 2.57-3.39 Å. Sb(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are a spread of Sb(1)-Se(1) bond distances ranging from 2.57-3.12 Å. Se(1) is bonded in a 7-coordinate geometry to four equivalent Ta(1) and three equivalent Sb(1) atoms.