data_[Sm20Cu8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9147]
_cell_length_b [6.7063]
_cell_length_c [6.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Cu2]
_chemical_formula_sum '[Sm20 Cu8]'
_cell_volume [788.2009]
_cell_formula_units_Z [4]
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  8  0.0945  0.1090  0.4420  1.0
  Sm  Sm1  8  0.2192  0.4340  0.7934  1.0
  Sm  Sm2  4  0.0000  0.4409  0.7500  1.0
  Cu  Cu3  8  0.1098  0.2988  0.0614  1.0
]