data_Ga2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   148.56
_cell_angle_beta   125.79
_cell_angle_gamma   64.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SbIr
_chemical_formula_sum   'Ga2 Sb1 Ir1'
_cell_volume   76.42
_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  0.0  0.58  0.1  1.0
  Ga  Ga1  1  0.54  0.0  0.71  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.81  1.0

data_Ga2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.17
_cell_length_c   5.67
_cell_angle_alpha   117.1
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SbIr
_chemical_formula_sum   'Ga2 Sb1 Ir1'
_cell_volume   76.42
_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  0.83  0.29  0.83  1.0
  Ga  Ga1  1  0.9  0.48  0.48  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.19  0.19  0.19  1.0

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