data_[Sm2Al12Cu7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.0326]
_cell_length_b [10.0326]
_cell_length_c [3.9716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sm2Al12Cu7]
_chemical_formula_sum '[Sm2 Al12 Cu7]'
_cell_volume [346.1935]
_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  2  0.3333  0.6667  0.2603  1
  Al  Al1  6  0.0511  0.4340  0.7515  1
  Al  Al2  6  0.1163  0.2652  0.2544  1
  Cu  Cu3  6  0.1182  0.7089  0.7557  1
  Cu  Cu4  1  0.0000  0.0000  0.5000  1
]