data_[Sm12In2Ni4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  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 [19.3739]
_cell_length_b [4.0081]
_cell_length_c [9.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6InNi2Br3]
_chemical_formula_sum '[Sm12 In2 Ni4 Br6]'
_cell_volume [678.6665]
_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  0.0200  0.0000  0.2659  1
  Sm  Sm1  4  0.1670  0.5000  0.1388  1
  Sm  Sm2  4  0.1795  0.5000  0.5597  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Ni  Ni4  4  0.1697  0.0000  0.3473  1
  Br  Br5  4  0.1642  0.0000  0.8385  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]