data_Ga2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   133.0
_cell_angle_beta   133.0
_cell_angle_gamma   68.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcBr
_chemical_formula_sum   'Ga2 Tc1 Br1'
_cell_volume   70.79
_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
  Ga  Ga1  1  0.04  0.0  0.12  1.0
  Ga  Ga2  1  0.0  0.04  0.12  1.0
  Tc  Tc3  1  0.0  0.0  0.23  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2TcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   124.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2TcBr
_chemical_formula_sum   'Ga4 Tc2 Br2'
_cell_volume   141.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.48  0.93  1.0
  Tc  Tc1  2  0.27  0.5  0.77  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

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