data_Ga2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcHg
_chemical_formula_sum   'Ga2 Tc1 Hg1'
_cell_volume   73.42
_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  0.67  0.0  0.94  1.0
  Ga  Ga1  1  0.67  0.0  0.11  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.52  1.0

data_Ga2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcHg
_chemical_formula_sum   'Ga2 Tc1 Hg1'
_cell_volume   73.42
_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  0.67  0.0  0.11  1.0
  Ga  Ga1  1  0.67  0.0  0.94  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.52  1.0

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