data_Ga2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.23
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcBr
_chemical_formula_sum   'Ga2 Tc1 Br1'
_cell_volume   75.86
_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
  Ga  Ga1  1  0.57  0.0  0.33  1.0
  Ga  Ga2  1  0.57  0.0  0.16  1.0
  Tc  Tc3  1  0.0  0.62  0.75  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.23
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcBr
_chemical_formula_sum   'Ga2 Tc1 Br1'
_cell_volume   75.86
_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
  Ga  Ga0  1  0.57  0.0  0.16  1.0
  Ga  Ga1  1  0.57  0.0  0.33  1.0
  Tc  Tc2  1  0.0  0.62  0.75  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ga Ga Tc Br
Ga Ga Tc Br 0 1 o o o 1 3 + o o 1 3 o o o 2 3 o o + 2 3 o + + 