data_Sm3Gd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Gd
_chemical_formula_sum   'Sm6 Gd2'
_cell_volume   269.66
_cell_formula_units_Z   2
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  0.85  0.07  0.47  1.0
  Sm  Sm1  1  0.43  0.07  0.47  1.0
  Sm  Sm2  1  0.64  0.17  0.47  1.0
  Sm  Sm3  1  0.79  0.23  0.41  1.0
  Sm  Sm4  1  0.21  0.23  0.41  1.0
  Sm  Sm5  1  0.0  0.13  0.41  1.0
  Gd  Gd6  1  0.64  0.1  0.41  1.0
  Gd  Gd7  1  0.0  0.2  0.47  1.0

data_Sm3Gd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.88
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sm3Gd
_chemical_formula_sum   'Sm6 Gd2'
_cell_volume   269.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.03  0.11  0.92  1.0
  Sm  Sm1  2  0.03  0.32  0.02  1.0
  Sm  Sm2  2  0.03  0.53  0.92  1.0
  Gd  Gd3  2  0.03  0.68  0.05  1.0

Sm Sm Sm Sm Sm Sm Gd Gd