data_[Sm24Zn3Rh9Br12]
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
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2612]
_cell_length_b [8.2612]
_cell_length_c [23.0818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8ZnRh3Br4]
_chemical_formula_sum '[Sm24 Zn3 Rh9 Br12]'
_cell_volume [1364.2309]
_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  18  0.0123  0.5062  0.7679  1.0
  Sm  Sm1  6  0.0000  0.0000  0.2328  1.0
  Zn  Zn2  3  -0.0000  -0.0000  0.5000  1.0
  Rh  Rh3  9  0.0000  0.5000  0.5000  1.0
  Br  Br4  9  0.0000  0.5000  0.0000  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]