data_TcBi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.67
_cell_angle_alpha   97.03
_cell_angle_beta   97.03
_cell_angle_gamma   48.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2Br
_chemical_formula_sum   'Tc1 Bi2 Br1'
_cell_volume   106.34
_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  0.41  0.0  0.8  1.0
  Bi  Bi0  1  0.8  0.0  0.33  1.0
  Bi  Bi1  1  0.02  0.0  0.27  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_TcBi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.31
_cell_length_c   7.67
_cell_angle_alpha   97.03
_cell_angle_beta   90.0
_cell_angle_gamma   114.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi2Br
_chemical_formula_sum   'Tc1 Bi2 Br1'
_cell_volume   106.34
_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  0.59  0.2  1.0
  Bi  Bi1  1  0.0  0.2  0.67  1.0
  Bi  Bi2  1  0.0  0.98  0.73  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tc Bi Bi Br