data_Ga2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   8.94
_cell_angle_alpha   20.51
_cell_angle_beta   20.51
_cell_angle_gamma   20.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SbIr
_chemical_formula_sum   'Ga2 Sb1 Ir1'
_cell_volume   76.64
_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  0.0  0.0  0.06  1.0
  Ga  Ga1  1  0.0  0.0  0.18  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.12  1.0

data_Ga2SbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2SbIr
_chemical_formula_sum   'Ga4 Sb2 Ir2'
_cell_volume   153.28
_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  0.82  1.0
  Ga  Ga1  2  0.0  0.0  0.94  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.88  1.0

Ga Ga Sb Ir
Ga Ga Sb Ir 0 2 o o o 0 3 o o o 1 3 o o o 