data_Cd2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.27
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcBr
_chemical_formula_sum   'Cd2 Tc1 Br1'
_cell_volume   88.79
_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
  Cd  Cd1  1  0.15  0.64  0.39  1.0
  Cd  Cd2  1  0.92  0.64  0.98  1.0
  Tc  Tc3  1  0.53  0.0  0.19  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cd2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.27
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcBr
_chemical_formula_sum   'Cd2 Tc1 Br1'
_cell_volume   88.79
_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
  Cd  Cd0  1  0.15  0.64  0.39  1.0
  Cd  Cd1  1  0.92  0.64  0.98  1.0
  Tc  Tc2  1  0.53  0.0  0.19  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Cd Tc Br
Cd Cd Tc Br 0 2 - o o 0 2 - + o 0 2 o o o 0 2 o + o 0 0 + o o 0 0 o + o 1 3 + + + 1 2 o + + 2 3 o o o 2 3 + o o 