data_[Sm2Si7Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.9418]
_cell_length_b [9.9418]
_cell_length_c [3.9916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sm2Si7Pt12]
_chemical_formula_sum '[Sm2 Si7 Pt12]'
_cell_volume [341.6694]
_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  0.2460  1
  Si  Si1  6  0.1161  0.4036  0.7465  1
  Si  Si2  1  0.0000  0.0000  0.5000  1
  Pt  Pt3  6  0.0713  0.6196  0.7489  1
  Pt  Pt4  6  0.1128  0.8531  0.2410  1
]