data_GaFe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.41
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   34.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Ir
_chemical_formula_sum   'Ga1 Fe2 Ir1'
_cell_volume   50.04
_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  Ga2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.26  0.0  0.09  1.0
  Fe  Fe1  1  0.51  0.0  0.24  1.0
  Ir  Ir3  1  0.88  0.0  0.17  1.0

data_GaFe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.41
_cell_length_c   4.5
_cell_angle_alpha   100.16
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Ir
_chemical_formula_sum   'Ga1 Fe2 Ir1'
_cell_volume   50.04
_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  0.0  1.0
  Fe  Fe1  1  0.0  0.09  0.26  1.0
  Fe  Fe2  1  0.0  0.24  0.51  1.0
  Ir  Ir3  1  0.0  0.17  0.88  1.0

Ga Fe Fe Ir