data_TcGeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.58
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGeBr2
_chemical_formula_sum   'Tc1 Ge1 Br2'
_cell_volume   96.19
_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  0.69  0.79  0.06  1.0
  Ge  Ge2  1  0.44  0.0  0.53  1.0
  Br  Br0  1  0.68  0.0  0.97  1.0
  Br  Br1  1  0.77  0.79  0.49  1.0

data_TcGeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.58
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGeBr2
_chemical_formula_sum   'Tc1 Ge1 Br2'
_cell_volume   96.19
_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  0.69  0.79  0.06  1.0
  Ge  Ge1  1  0.44  0.0  0.53  1.0
  Br  Br2  1  0.68  0.0  0.97  1.0
  Br  Br3  1  0.77  0.79  0.49  1.0

Tc Ge Br Br