data_[Sm8Au4O2]
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 [P2_1/m]
_cell_length_a [6.8779]
_cell_length_b [7.0977]
_cell_length_c [7.8946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm4Au2O]
_chemical_formula_sum '[Sm8 Au4 O2]'
_cell_volume [370.0539]
_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  4  0.4951  0.5073  0.2508  1.0
  Sm  Sm1  2  0.0655  0.7500  0.3805  1.0
  Sm  Sm2  2  0.0867  0.7500  0.9065  1.0
  Au  Au3  2  0.2621  0.2500  0.4335  1.0
  Au  Au4  2  0.2765  0.2500  0.9524  1.0
  O  O5  2  0.2632  0.7500  0.1936  1.0
]