data_[Sm12Ag2Ir4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2186]
_cell_length_b [12.5485]
_cell_length_c [8.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AgIr2Br3]
_chemical_formula_sum '[Sm12 Ag2 Ir4 Br6]'
_cell_volume [699.7209]
_cell_formula_units_Z [2]
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  8  0.2463  0.8207  0.2007  1.0
  Sm  Sm1  4  0.2071  0.5000  0.1996  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3331  0.0000  1.0
  Br  Br4  4  0.0000  0.1682  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]