data_[Sm9Zn3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0300]
_cell_length_b [5.0300]
_cell_length_c [24.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm3ZnNi8]
_chemical_formula_sum '[Sm9 Zn3 Ni24]'
_cell_volume [542.9991]
_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  0.3776  1
  Sm  Sm1  3  0.0000  0.0000  0.5064  1
  Sm  Sm2  3  0.0000  0.0000  0.9912  1
  Zn  Zn3  3  0.0000  0.0000  0.8693  1
  Ni  Ni4  9  0.0030  0.5015  0.4395  1
  Ni  Ni5  9  0.0033  0.5016  0.9368  1
  Ni  Ni6  3  0.0000  0.0000  0.1886  1
  Ni  Ni7  3  0.0000  0.0000  0.6880  1
]