data_[Sm1Cu8Ag3]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0014]
_cell_length_b [5.0014]
_cell_length_c [8.1590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmCu8Ag3]
_chemical_formula_sum '[Sm1 Cu8 Ag3]'
_cell_volume [176.7487]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4356  1.0
  Cu  Cu1  3  0.1661  0.3323  0.7554  1.0
  Cu  Cu2  3  0.5022  0.0045  0.2415  1.0
  Cu  Cu3  1  0.3333  0.6667  0.0015  1.0
  Cu  Cu4  1  0.3333  0.6667  0.5013  1.0
  Ag  Ag5  1  0.0000  0.0000  0.0502  1.0
  Ag  Ag6  1  0.6667  0.3333  0.5796  1.0
  Ag  Ag7  1  0.6667  0.3333  0.9409  1.0
]