data_[Sm16Cu2Au4]
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 [C2/m]
_cell_length_a [18.0655]
_cell_length_b [5.1804]
_cell_length_c [6.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8CuAu2]
_chemical_formula_sum '[Sm16 Cu2 Au4]'
_cell_volume [630.1746]
_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  0.0273  0.0000  0.7776  1
  Sm  Sm1  4  0.0893  0.5000  0.4521  1
  Sm  Sm2  4  0.1628  0.5000  0.9754  1
  Sm  Sm3  4  0.2011  0.0000  0.3256  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1869  0.0000  0.7385  1
]