data_SmAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAu
_chemical_formula_sum   'Sm2 Au2'
_cell_volume   102.99
_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  0.92  0.94  0.58  1.0
  Sm  Sm1  1  0.92  0.06  0.19  1.0
  Au  Au2  1  0.92  0.04  0.58  1.0
  Au  Au3  1  0.92  0.96  0.19  1.0

data_SmAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.83
_cell_length_b   4.77
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmAu
_chemical_formula_sum   'Sm2 Au2'
_cell_volume   102.99
_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  0.06  0.69  0.06  1.0
  Au  Au1  2  0.04  0.31  0.04  1.0

Sm Sm Au Au