data_Sm2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ga3Cu
_chemical_formula_sum   'Sm2 Ga3 Cu1'
_cell_volume   126.52
_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  0.21  0.28  0.46  1.0
  Sm  Sm1  1  0.21  0.28  0.95  1.0
  Ga  Ga2  1  0.0  0.56  0.58  1.0
  Ga  Ga3  1  0.0  0.56  0.32  1.0
  Ga  Ga4  1  0.0  0.0  0.1  1.0
  Cu  Cu5  1  0.0  0.0  0.94  1.0

data_Sm2Ga3Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Ga3Cu
_chemical_formula_sum   'Sm2 Ga3 Cu1'
_cell_volume   126.52
_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  0.21  0.28  0.46  1.0
  Sm  Sm1  1  0.21  0.28  0.95  1.0
  Ga  Ga2  1  0.0  0.0  0.1  1.0
  Ga  Ga3  1  0.0  0.56  0.32  1.0
  Ga  Ga4  1  0.0  0.56  0.58  1.0
  Cu  Cu5  1  0.0  0.0  0.94  1.0

Sm Sm Ga Ga Ga Cu