data_[Sm2Sc10Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8799]
_cell_length_b [14.7358]
_cell_length_c [6.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [SmSc5Au6]
_chemical_formula_sum '[Sm2 Sc10 Au12]'
_cell_volume [495.0106]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.3308  0.0000  1
  Sc  Sc2  4  0.0000  0.3354  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.5000  1
  Au  Au4  8  0.0000  0.1743  0.2584  1
  Au  Au5  4  0.0000  0.5000  0.2689  1
]