data_TcSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   153.3
_cell_angle_beta   137.58
_cell_angle_gamma   50.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbBr2
_chemical_formula_sum   'Tc1 Sb1 Br2'
_cell_volume   102.38
_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  0.51  1.0
  Sb  Sb2  1  0.0  0.52  0.06  1.0
  Br  Br0  1  0.0  0.52  0.34  1.0
  Br  Br1  1  0.0  0.0  0.99  1.0

data_TcSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.05
_cell_length_c   6.97
_cell_angle_alpha   111.21
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbBr2
_chemical_formula_sum   'Tc1 Sb1 Br2'
_cell_volume   102.38
_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  0.51  0.51  1.0
  Sb  Sb1  1  0.48  0.54  0.54  1.0
  Br  Br2  1  0.0  0.99  0.99  1.0
  Br  Br3  1  0.48  0.81  0.81  1.0

Tc Sb Br Br