data_GaSbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   152.4
_cell_angle_beta   152.4
_cell_angle_gamma   39.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSbIr
_chemical_formula_sum   'Ga1 Sb1 Ir1'
_cell_volume   57.53
_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  0.78  1.0
  Sb  Sb2  1  0.0  0.0  0.37  1.0
  Ir  Ir1  1  0.0  0.0  0.14  1.0

data_GaSbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaSbIr
_chemical_formula_sum   'Ga2 Sb2 Ir2'
_cell_volume   115.07
_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  0.22  1.0
  Sb  Sb1  2  0.0  0.0  0.63  1.0
  Ir  Ir2  2  0.0  0.0  0.86  1.0

Ga Sb Ir
Ga Sb Ir 0 1 o o o 0 2 o o + 1 2 o o o 