data_TcSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   4.7
_cell_angle_alpha   103.48
_cell_angle_beta   103.48
_cell_angle_gamma   26.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbBr2
_chemical_formula_sum   'Tc1 Sb1 Br2'
_cell_volume   103.43
_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  0.42  0.0  0.28  1.0
  Br  Br0  1  0.89  0.0  0.75  1.0
  Br  Br1  1  0.95  0.0  0.82  1.0

data_TcSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.7
_cell_length_c   7.17
_cell_angle_alpha   103.48
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbBr2
_chemical_formula_sum   'Tc1 Sb1 Br2'
_cell_volume   103.43
_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  0.28  0.42  1.0
  Br  Br2  1  0.0  0.75  0.89  1.0
  Br  Br3  1  0.0  0.82  0.95  1.0

Tc Sb Br Br