data_[Sm36Cu3Bi18]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.5483]
_cell_length_b [13.5483]
_cell_length_c [12.4654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12CuBi6]
_chemical_formula_sum '[Sm36 Cu3 Bi18]'
_cell_volume [1981.5643]
_cell_formula_units_Z [3]
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  18  0.0277  0.1882  0.3859  1
  Sm  Sm1  18  0.0635  0.1955  0.8805  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  18  0.0437  0.2844  0.6400  1
]