data_[Sm3In3Ni51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2652]
_cell_length_b [8.2652]
_cell_length_c [12.0546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmInNi17]
_chemical_formula_sum '[Sm3 In3 Ni51]'
_cell_volume [713.1714]
_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  3  0.0000  0.0000  0.3415  1
  In  In1  3  0.0000  0.0000  0.6562  1
  Ni  Ni2  18  0.0404  0.3720  0.6673  1
  Ni  Ni3  9  0.1706  0.3413  0.8352  1
  Ni  Ni4  9  0.1715  0.3431  0.1810  1
  Ni  Ni5  9  0.1719  0.3437  0.4856  1
  Ni  Ni6  3  0.0000  0.0000  0.0963  1
  Ni  Ni7  3  0.0000  0.0000  0.8969  1
]