data_[Sm6Zn18Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4066]
_cell_length_b [8.9942]
_cell_length_c [13.3395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Zn9Au2]
_chemical_formula_sum '[Sm6 Zn18 Au4]'
_cell_volume [528.6940]
_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  0.0000  0.0000  0.3021  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  8  0.0000  0.2798  0.1360  1
  Zn  Zn3  8  0.0000  0.3615  0.3322  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.0000  0.2003  0.5000  1
]