data_Ga2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2TcIr
_chemical_formula_sum   'Ga2 Tc1 Ir1'
_cell_volume   58.96
_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  0.59  0.59  0.77  1.0
  Ga  Ga1  1  0.0  0.0  0.49  1.0
  Tc  Tc3  1  0.0  0.0  0.53  1.0
  Ir  Ir2  1  0.59  0.59  0.79  1.0

data_Ga2TcIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2TcIr
_chemical_formula_sum   'Ga4 Tc2 Ir2'
_cell_volume   117.92
_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  2  0.0  0.0  0.49  1.0
  Ga  Ga1  2  0.09  0.5  0.77  1.0
  Tc  Tc2  2  0.0  0.0  0.53  1.0
  Ir  Ir3  2  0.09  0.5  0.79  1.0

Ga Ga Tc Ir
Ga Ga Tc Ir 0 3 o o o 1 2 o o o 