data_TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64
_cell_length_b   10.64
_cell_length_c   10.64
_cell_angle_alpha   16.52
_cell_angle_beta   16.52
_cell_angle_gamma   16.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb
_chemical_formula_sum   'Tc2 Sb2'
_cell_volume   84.93
_cell_formula_units_Z   2
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
  Tc  Tc2  1  0.0  0.0  0.26  1.0
  Tc  Tc3  1  0.0  0.0  0.21  1.0
  Sb  Sb0  1  0.0  0.0  0.97  1.0
  Sb  Sb1  1  0.0  0.0  0.51  1.0

data_TcSb
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.3
_cell_length_b   3.06
_cell_length_c   10.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TcSb
_chemical_formula_sum   'Tc4 Sb4'
_cell_volume   169.85
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Tc  Tc0  4  0.0  0.0  0.48  1.0
  Sb  Sb1  4  0.0  0.0  0.23  1.0

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