data_TaTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   8.48
_cell_angle_alpha   21.32
_cell_angle_beta   21.32
_cell_angle_gamma   21.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Sb
_chemical_formula_sum   'Ta1 Tc2 Sb1'
_cell_volume   70.54
_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
  Ta  Ta1  1  0.0  0.0  0.42  1.0
  Tc  Tc2  1  0.0  0.0  0.72  1.0
  Tc  Tc3  1  0.0  0.0  0.12  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_TaTc2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.14
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTc2Sb
_chemical_formula_sum   'Ta2 Tc4 Sb2'
_cell_volume   141.07
_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  0.0  0.0  0.58  1.0
  Tc  Tc1  2  0.0  0.0  0.28  1.0
  Tc  Tc2  2  0.0  0.0  0.88  1.0
  Sb  Sb3  2  0.0  0.0  0.0  1.0

Ta Tc Tc Sb
Ta Tc Tc Sb 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 