data_[Sm6Mg3Zn36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2461]
_cell_length_b [8.2461]
_cell_length_c [19.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Mg(Zn4Ni)3]
_chemical_formula_sum '[Sm6 Mg3 Zn36 Ni9]'
_cell_volume [1167.7038]
_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  6  0.0000  0.0000  0.4095  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0257  0.5128  0.8352  1
  Zn  Zn3  18  0.1000  0.5500  0.3855  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]