data_[Sm12Fe2Ni4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8566]
_cell_length_b [11.8907]
_cell_length_c [8.0166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6FeNi2Br3]
_chemical_formula_sum '[Sm12 Fe2 Ni4 Br6]'
_cell_volume [626.4196]
_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  0.2263  0.8386  0.1949  1.0
  Sm  Sm1  4  0.2420  0.5000  0.1950  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  4  0.0000  0.3332  0.0000  1.0
  Br  Br4  4  0.0000  0.1649  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]