data_[Sm1Al6Pt4]
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-6m2]
_cell_length_a [7.3236]
_cell_length_b [7.3236]
_cell_length_c [4.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sm(Al3Pt2)2]
_chemical_formula_sum '[Sm1 Al6 Pt4]'
_cell_volume [187.1999]
_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  0.0000  1.0
  Al  Al1  3  0.1992  0.3983  0.5000  1.0
  Al  Al2  3  0.5334  0.0669  0.0000  1.0
  Pt  Pt3  3  0.4026  0.2013  0.5000  1.0
  Pt  Pt4  1  0.3333  0.6667  0.0000  1.0
]