data_[Sm3Au1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7459]
_cell_length_b [5.6771]
_cell_length_c [7.1728]
_cell_angle_alpha [90.5917]
_cell_angle_beta [102.6700]
_cell_angle_gamma [91.1223]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm3AuO6]
_chemical_formula_sum '[Sm3 Au1 O6]'
_cell_volume [148.7758]
_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  2  0.3908  0.4708  0.2349  1.0
  Sm  Sm1  1  0.0000  0.0000  0.5000  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1251  0.7934  0.7917  1.0
  O  O4  2  0.1554  0.3054  0.8854  1.0
  O  O5  2  0.4823  0.7440  0.4777  1.0
]