data_[Sm9Mg3Zn24]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4576]
_cell_length_b [5.4576]
_cell_length_c [26.9918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm3MgZn8]
_chemical_formula_sum '[Sm9 Mg3 Zn24]'
_cell_volume [696.2383]
_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  0.0042  1.0
  Sm  Sm1  3  0.0000  0.0000  0.4972  1.0
  Sm  Sm2  3  0.0000  0.0000  0.6229  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1271  1.0
  Zn  Zn4  9  0.0027  0.5013  0.5620  1.0
  Zn  Zn5  9  0.0034  0.5017  0.0625  1.0
  Zn  Zn6  3  0.0000  0.0000  0.3120  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8131  1.0
]