data_[Sm4Zn4Au6]
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 [C2/m]
_cell_length_a [10.2523]
_cell_length_b [4.2769]
_cell_length_c [7.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Zn2Au3]
_chemical_formula_sum '[Sm4 Zn4 Au6]'
_cell_volume [292.3916]
_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  0.1337  0.0000  0.7586  1.0
  Zn  Zn1  4  0.1532  0.0000  0.2064  1.0
  Au  Au2  4  0.1222  0.5000  0.4347  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
]