data_[Sm9Zn27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4683]
_cell_length_b [5.4683]
_cell_length_c [26.4507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SmZn3]
_chemical_formula_sum '[Sm9 Zn27]'
_cell_volume [684.9641]
_cell_formula_units_Z [9]
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  0.3612  1.0
  Sm  Sm1  3  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  18  0.0025  0.5012  0.4196  1.0
  Zn  Zn3  6  0.0000  0.0000  0.1643  1.0
  Zn  Zn4  3  -0.0000  -0.0000  0.0000  1.0
]