data_[Sm2Al12Pt7]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.9764]
_cell_length_b [9.9764]
_cell_length_c [4.1842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Sm2Al12Pt7]
_chemical_formula_sum '[Sm2 Al12 Pt7]'
_cell_volume [360.6525]
_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  0.5000  1
  Sm  Sm1  1  0.6667  0.3333  0.0000  1
  Al  Al2  3  0.0421  0.5309  0.0000  1
  Al  Al3  3  0.2038  0.7508  0.5000  1
  Al  Al4  3  0.2783  0.1947  0.0000  1
  Al  Al5  3  0.3846  0.0745  0.5000  1
  Pt  Pt6  3  0.0854  0.2995  0.0000  1
  Pt  Pt7  3  0.4341  0.3470  0.5000  1
  Pt  Pt8  1  0.3333  0.6667  0.0000  1
]