data_Ga2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.22
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoIr
_chemical_formula_sum   'Ga2 Co1 Ir1'
_cell_volume   55.6
_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  Ga1  1  0.02  0.11  0.55  1.0
  Ga  Ga2  1  0.98  0.0  0.25  1.0
  Co  Co0  1  0.33  0.0  0.68  1.0
  Ir  Ir3  1  0.6  0.11  0.33  1.0

data_Ga2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.22
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoIr
_chemical_formula_sum   'Ga2 Co1 Ir1'
_cell_volume   55.6
_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  0.02  0.11  0.55  1.0
  Ga  Ga1  1  0.98  0.0  0.25  1.0
  Co  Co2  1  0.33  0.0  0.68  1.0
  Ir  Ir3  1  0.6  0.11  0.33  1.0

Ga Ga Co Ir
Ga Ga Co Ir 0 2 o o o 0 1 - o o 0 3 - o o 1 3 o o o 