data_[Sm12Ni4Ru2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3292]
_cell_length_b [4.0322]
_cell_length_c [8.9853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ni2RuBr3]
_chemical_formula_sum '[Sm12 Ni4 Ru2 Br6]'
_cell_volume [646.9603]
_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  0.0120  0.0000  0.2198  1.0
  Sm  Sm1  4  0.1534  0.5000  0.1176  1.0
  Sm  Sm2  4  0.1771  0.5000  0.5532  1.0
  Ni  Ni3  4  0.1696  0.0000  0.3419  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1663  0.0000  0.8325  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]