data_[Sm6Cu6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7975]
_cell_length_b [4.3036]
_cell_length_c [19.2996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sm3Cu3Au]
_chemical_formula_sum '[Sm6 Cu6 Au2]'
_cell_volume [315.4173]
_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  0.9957  1
  Sm  Sm1  2  0.0000  0.5000  0.1867  1
  Sm  Sm2  2  0.0000  0.5000  0.8158  1
  Cu  Cu3  2  0.0000  0.0000  0.4295  1
  Cu  Cu4  2  0.0000  0.5000  0.3617  1
  Cu  Cu5  2  0.0000  0.5000  0.6467  1
  Au  Au6  2  0.0000  0.0000  0.5638  1
]