data_TcSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbCl2
_chemical_formula_sum   'Tc1 Sb1 Cl2'
_cell_volume   86.98
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.41  1.0
  Cl  Cl0  1  0.6  0.0  0.89  1.0
  Cl  Cl1  1  0.6  0.0  0.93  1.0

data_TcSbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.47
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbCl2
_chemical_formula_sum   'Tc1 Sb1 Cl2'
_cell_volume   86.98
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.41  1.0
  Cl  Cl2  1  0.0  0.6  0.89  1.0
  Cl  Cl3  1  0.0  0.6  0.93  1.0

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