data_Sm2Ga5Fe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   82.53
_cell_angle_beta   82.53
_cell_angle_gamma   82.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ga5Fe12
_chemical_formula_sum   'Sm2 Ga5 Fe12'
_cell_volume   275.69
_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
  Sm  Sm0  1  0.0  0.0  0.31  1.0
  Sm  Sm1  1  0.0  0.0  0.45  1.0
  Ga  Ga2  1  0.84  0.25  0.13  1.0
  Ga  Ga3  1  0.0  0.5  0.13  1.0
  Ga  Ga4  1  0.16  0.25  0.13  1.0
  Ga  Ga5  1  0.0  0.0  0.53  1.0
  Ga  Ga6  1  0.0  0.0  0.23  1.0
  Fe  Fe7  1  0.32  0.28  0.25  1.0
  Fe  Fe8  1  0.69  0.5  0.25  1.0
  Fe  Fe9  1  0.99  0.22  0.25  1.0
  Fe  Fe10  1  0.31  0.5  0.25  1.0
  Fe  Fe11  1  0.68  0.28  0.25  1.0
  Fe  Fe12  1  0.01  0.22  0.25  1.0
  Fe  Fe13  1  0.87  0.23  0.47  1.0
  Fe  Fe14  1  0.0  0.53  0.47  1.0
  Fe  Fe15  1  0.13  0.23  0.47  1.0
  Fe  Fe16  1  0.13  0.77  0.29  1.0
  Fe  Fe17  1  0.0  0.47  0.29  1.0
  Fe  Fe18  1  0.87  0.77  0.29  1.0

data_Sm2Ga5Fe12
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   82.53
_cell_angle_beta   82.53
_cell_angle_gamma   82.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ga5Fe12
_chemical_formula_sum   'Sm2 Ga5 Fe12'
_cell_volume   275.69
_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
  Sm  Sm0  1  0.0  0.0  0.55  1.0
  Sm  Sm1  1  0.0  0.0  0.69  1.0
  Ga  Ga2  1  0.0  0.0  0.47  1.0
  Ga  Ga3  1  0.0  0.0  0.77  1.0
  Ga  Ga4  1  0.5  -0.0  0.87  1.0
  Ga  Ga5  1  0.75  0.16  0.87  1.0
  Ga  Ga6  1  0.75  0.84  0.87  1.0
  Fe  Fe7  1  0.23  0.13  0.71  1.0
  Fe  Fe8  1  0.23  0.87  0.71  1.0
  Fe  Fe9  1  0.47  -0.0  0.53  1.0
  Fe  Fe10  1  0.5  0.31  0.75  1.0
  Fe  Fe11  1  0.5  0.69  0.75  1.0
  Fe  Fe12  1  0.53  -0.0  0.71  1.0
  Fe  Fe13  1  0.72  0.32  0.75  1.0
  Fe  Fe14  1  0.72  0.68  0.75  1.0
  Fe  Fe15  1  0.77  0.13  0.53  1.0
  Fe  Fe16  1  0.77  0.87  0.53  1.0
  Fe  Fe17  1  0.78  0.01  0.75  1.0
  Fe  Fe18  1  0.78  0.99  0.75  1.0

Sm Sm Ga Ga Ga Ga Ga Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe