data_[Sm12Pt4Rh2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5241]
_cell_length_b [4.1761]
_cell_length_c [9.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Pt2RhBr3]
_chemical_formula_sum '[Sm12 Pt4 Rh2 Br6]'
_cell_volume [690.3499]
_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  4  0.0110  0.0000  0.2161  1.0
  Sm  Sm1  4  0.1519  0.5000  0.1101  1.0
  Sm  Sm2  4  0.1769  0.5000  0.5551  1.0
  Pt  Pt3  4  0.1672  0.0000  0.3346  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1663  0.0000  0.8320  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]